1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamidine Hydrochloride - CAS 256499-19-1
Catalog: |
BB018991 |
Product Name: |
1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamidine Hydrochloride |
CAS: |
256499-19-1 |
Synonyms: |
1-[(2-fluorophenyl)methyl]-3-pyrazolo[3,4-b]pyridinecarboximidamide;hydrochloride; 1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride |
IUPAC Name: | 1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride |
Description: | 1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamidine Hydrochloride (CAS# 256499-19-1) is a key intermediate in the synthesis of Riociguat, a potent, oral stimulator of soluble guanylate cyclase for the treatment of pulmonary hypertension. |
Molecular Weight: | 305.74 |
Molecular Formula: | C14H13ClFN5 |
Canonical SMILES: | C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)C(=N)N)F.Cl |
InChI: | InChI=1S/C14H12FN5.ClH/c15-11-6-2-1-4-9(11)8-20-14-10(5-3-7-18-14)12(19-20)13(16)17;/h1-7H,8H2,(H3,16,17);1H |
InChI Key: | DQASIYVADJWVLY-UHFFFAOYSA-N |
MDL: | MFCD18432772 |
LogP: | 3.50480 |
Publication Number | Title | Priority Date |
WO-2018096550-A1 | Process for the preparation of methyl 4,6-diamino-2-[1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl(methyl)carbamate and its polymorphs thereof | 20161128 |
WO-2017121700-A1 | 1,3-disubstituted 1h-pyrazolo[3,4-b]pyridine derivatives and use thereof as stimulators of soluble guanylate cyclase | 20160115 |
US-10414766-B2 | Polymorph of Riociguat and its process for the preparation | 20151215 |
US-2019002461-A1 | Novel polymorph of riociguat and its process for the preparation | 20151215 |
CN-105294686-A | Preparation method of riociguat | 20151130 |
Complexity: | 364 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.0843513 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.0843513 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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