4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide

C25H24N6O2 — CID 22225180

IUPAC4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide
SMILESCc1nc(N2CCN(c3ccccc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(N)=O)cc1
InChIInChI=1S/C25H24N6O2/c1-17-21-11-12-22(32)31(20-9-7-18(8-10-20)23(26)33)24(21)28-25(27-17)30-15-13-29(14-16-30)19-5-3-2-4-6-19/h2-12H,13-16H2,1H3,(H2,26,33)
InChIKeyYWVVTTPXVLNPEQ-UHFFFAOYSA-N
MW440.51 g/mol
LogP2.51
Rot. Bonds4

About 4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide

4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide (PubChem CID 22225180) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide.

Molecular Properties

Compound Name4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide
PubChem CID22225180
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide
SMILESCc1nc(N2CCN(c3ccccc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(N)=O)cc1
InChIInChI=1S/C25H24N6O2/c1-17-21-11-12-22(32)31(20-9-7-18(8-10-20)23(26)33)24(21)28-25(27-17)30-15-13-29(14-16-30)19-5-3-2-4-6-19/h2-12H,13-16H2,1H3,(H2,26,33)
InChIKeyYWVVTTPXVLNPEQ-UHFFFAOYSA-N
XLogP2.51
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 10459691
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-[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-[2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
CID 22225390
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-[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-[2-(4-acetyl-4-phenylpiperidin-1-yl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzoyl]amino]methyl]benzoic acid
CID 22225152
N,N-dimethyl-3-[[4-[4-methyl-7-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzoyl]amino]propan-1-amine oxide
CID 22225256
4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
CID 22225040
4-[2-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
CID 22225431
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-octylbenzamide
CID 22225186
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide?
The IUPAC name of 4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide (CID 22225180) is 4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide.
What is the SMILES notation for 4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide?
The canonical SMILES for 4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide is Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide?
The InChIKey is YWVVTTPXVLNPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-17-21-11-12-22(32)31(20-9-7-18(8-10-20)23(26)33)24(21)28-25(27-17)30-15-13-29(14-16-30)19-5-3-2-4-6-19/h2-12H,13-16H2,1H3,(H2,26,33).
What are the key properties of 4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide?
4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide has a molecular weight of 440.51 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzamide is sourced from PubChem (CID 22225180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).