5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide

C28H29ClN8O3 — CID 137231153

IUPAC5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1c(C(C)n2cc(-c3cn[nH]c3)c(=O)c3c2NCN=C3N)cc(Cl)c(C)c1-c1ccc(C(=O)N(C)C)nc1
InChIInChI=1S/C28H29ClN8O3/c1-14-20(29)8-18(25(40-5)22(14)16-6-7-21(31-9-16)28(39)36(3)4)15(2)37-12-19(17-10-34-35-11-17)24(38)23-26(30)32-13-33-27(23)37/h6-12,15,33H,13H2,1-5H3,(H2,30,32)(H,34,35)
InChIKeyRKBDQBJYSGDEOO-UHFFFAOYSA-N
MW561.05 g/mol
LogP3.67
Rot. Bonds6

About 5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide

5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 137231153) has the molecular formula C28H29ClN8O3 and a molecular weight of 561.05 g/mol. Its IUPAC name is 5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID137231153
Molecular FormulaC28H29ClN8O3
Molecular Weight561.05 g/mol
Exact Mass560.21
IUPAC Name5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1c(C(C)n2cc(-c3cn[nH]c3)c(=O)c3c2NCN=C3N)cc(Cl)c(C)c1-c1ccc(C(=O)N(C)C)nc1
InChIInChI=1S/C28H29ClN8O3/c1-14-20(29)8-18(25(40-5)22(14)16-6-7-21(31-9-16)28(39)36(3)4)15(2)37-12-19(17-10-34-35-11-17)24(38)23-26(30)32-13-33-27(23)37/h6-12,15,33H,13H2,1-5H3,(H2,30,32)(H,34,35)
InChIKeyRKBDQBJYSGDEOO-UHFFFAOYSA-N
XLogP3.67
TPSA143.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.05
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide (CID 137231153) is 5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide is COc1c(C(C)n2cc(-c3cn[nH]c3)c(=O)c3c2NCN=C3N)cc(Cl)c(C)c1-c1ccc(C(=O)N(C)C)nc1.
What is the InChIKey of 5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is RKBDQBJYSGDEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN8O3/c1-14-20(29)8-18(25(40-5)22(14)16-6-7-21(31-9-16)28(39)36(3)4)15(2)37-12-19(17-10-34-35-11-17)24(38)23-26(30)32-13-33-27(23)37/h6-12,15,33H,13H2,1-5H3,(H2,30,32)(H,34,35).
What are the key properties of 5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide?
5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 561.05 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-[4-amino-5-oxo-6-(1H-pyrazol-4-yl)-1,2-dihydropyrido[2,3-d]pyrimidin-8-yl]ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 137231153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).