6-[4-[(2,5-Dichloro-4-pyrimidinyl)amino]-1-piperidyl]pyridazine-3-carbonitrile - CAS 1903768-77-3
Catalog: |
BB014715 |
Product Name: |
6-[4-[(2,5-Dichloro-4-pyrimidinyl)amino]-1-piperidyl]pyridazine-3-carbonitrile |
CAS: |
1903768-77-3 |
Synonyms: |
6-[4-[(2,5-dichloro-4-pyrimidinyl)amino]-1-piperidinyl]-3-pyridazinecarbonitrile; 6-[4-[(2,5-dichloropyrimidin-4-yl)amino]piperidin-1-yl]pyridazine-3-carbonitrile |
IUPAC Name: | 6-[4-[(2,5-dichloropyrimidin-4-yl)amino]piperidin-1-yl]pyridazine-3-carbonitrile |
Description: | 6-[4-[(2,5-Dichloro-4-pyrimidinyl)amino]-1-piperidyl]pyridazine-3-carbonitrile (CAS# 1903768-77-3 ) is a useful research chemical. |
Molecular Weight: | 350.21 |
Molecular Formula: | C14H13Cl2N7 |
Canonical SMILES: | C1CN(CCC1NC2=NC(=NC=C2Cl)Cl)C3=NN=C(C=C3)C#N |
InChI: | InChI=1S/C14H13Cl2N7/c15-11-8-18-14(16)20-13(11)19-9-3-5-23(6-4-9)12-2-1-10(7-17)21-22-12/h1-2,8-9H,3-6H2,(H,18,19,20) |
InChI Key: | QLGRPGCYFLBMRF-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-10683297-B2 | Substituted heteroaryl compounds and methods of use | 20171119 |
US-2019152977-A1 | Substituted heteroaryl compounds and methods of use | 20171119 |
WO-2019099311-A1 | Substituted heteroaryl compounds and methods of use | 20171119 |
EP-3710006-A1 | Substituted heteroaryl compounds and methods of use | 20171119 |
JP-2021503479-A | Substituted heteroaryl compound and usage | 20171119 |
Complexity: | 434 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 349.0609488 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 349.0609488 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 90.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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