4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide

C33H31N7O5S — CID 22225137

IUPAC4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
SMILESCc1nc(N2CCN(C(=O)c3cccnc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C33H31N7O5S/c1-22-28-13-14-29(41)40(26-9-7-24(8-10-26)31(42)35-20-23-5-11-27(12-6-23)46(2,44)45)30(28)37-33(36-22)39-18-16-38(17-19-39)32(43)25-4-3-15-34-21-25/h3-15,21H,16-20H2,1-2H3,(H,35,42)
InChIKeyUHVXYBRMHBUKDZ-UHFFFAOYSA-N
MW637.72 g/mol
LogP2.78
Rot. Bonds7

About 4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide

4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide (PubChem CID 22225137) has the molecular formula C33H31N7O5S and a molecular weight of 637.72 g/mol. Its IUPAC name is 4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
PubChem CID22225137
Molecular FormulaC33H31N7O5S
Molecular Weight637.72 g/mol
Exact Mass637.21
IUPAC Name4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
SMILESCc1nc(N2CCN(C(=O)c3cccnc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C33H31N7O5S/c1-22-28-13-14-29(41)40(26-9-7-24(8-10-26)31(42)35-20-23-5-11-27(12-6-23)46(2,44)45)30(28)37-33(36-22)39-18-16-38(17-19-39)32(43)25-4-3-15-34-21-25/h3-15,21H,16-20H2,1-2H3,(H,35,42)
InChIKeyUHVXYBRMHBUKDZ-UHFFFAOYSA-N
XLogP2.78
TPSA147.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.72
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 22225359
4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 10459691
4-[[[4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzoyl]amino]methyl]benzoic acid
CID 22225386
4-[4-methyl-8-[4-[(4-methylsulfonylphenyl)methylcarbamoyl]phenyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxybenzoic acid
CID 22225128
4-[2-(4-benzylpiperazin-1-yl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225342
4-[[[4-[2-(4-acetyl-4-phenylpiperidin-1-yl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzoyl]amino]methyl]benzoic acid
CID 22225152
4-[2-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-benzylbenzamide
CID 22225428
N-cyclopropyl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
CID 22225281
4-[[[4-[4-methyl-7-oxo-2-[4-(trifluoromethyl)phenoxy]pyrido[2,3-d]pyrimidin-8-yl]benzoyl]amino]methyl]benzoic acid
CID 22225088
4-[2-[4-(2-amino-2-oxoethyl)phenoxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-benzylbenzamide
CID 22225176
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-octylbenzamide
CID 22225186
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide?
The IUPAC name of 4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide (CID 22225137) is 4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide?
The canonical SMILES for 4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide is Cc1nc(N2CCN(C(=O)c3cccnc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide?
The InChIKey is UHVXYBRMHBUKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N7O5S/c1-22-28-13-14-29(41)40(26-9-7-24(8-10-26)31(42)35-20-23-5-11-27(12-6-23)46(2,44)45)30(28)37-33(36-22)39-18-16-38(17-19-39)32(43)25-4-3-15-34-21-25/h3-15,21H,16-20H2,1-2H3,(H,35,42).
What are the key properties of 4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide?
4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide has a molecular weight of 637.72 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[(4-methylsulfonylphenyl)methyl]benzamide is sourced from PubChem (CID 22225137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).