N2-[4-(Diethylamino)butyl]-6-(3,5-dimethoxyphenyl)-pyrido[2,3-d]pyrimidine-2,7-diamine - CAS 862370-79-4
Catalog: |
BB067878 |
Product Name: |
N2-[4-(Diethylamino)butyl]-6-(3,5-dimethoxyphenyl)-pyrido[2,3-d]pyrimidine-2,7-diamine |
CAS: |
862370-79-4 |
Synonyms: |
N2-[4-(Diethylamino)butyl]-6-(3,5-dimethoxyphenyl)-pyrido[2,3-d]pyrimidine-2,7-diamine; 2-N-[4-(diethylamino)butyl]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine |
IUPAC Name: | 2-N-[4-(diethylamino)butyl]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine |
Description: | Used in the preparation of naphthyridinamines and related ureas as a selective FGFR1 and FGFR3 inhibitor. |
Molecular Weight: | 424.54 |
Molecular Formula: | C23H32N6O2 |
Canonical SMILES: | CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)N |
InChI: | InChI=1S/C23H32N6O2/c1-5-29(6-2)10-8-7-9-25-23-26-15-17-13-20(21(24)27-22(17)28-23)16-11-18(30-3)14-19(12-16)31-4/h11-15H,5-10H2,1-4H3,(H3,24,25,26,27,28) |
InChI Key: | NVRJYYIGIPJQMX-UHFFFAOYSA-N |
Melting Point: | 78-82°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Yellow Solid |
Storage: | Refrigerator |
References: | Thompson, A. et al.; J. Med. Chem. 48, 4628 (2005). |
Complexity: | 497 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 424.25867428 |
Formal Charge: | 0 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 424.25867428 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 98.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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