8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one

C32H32N6O — CID 90210853

IUPAC8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(-c2cccnc2)cc1-c1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(C)c1=O
InChIInChI=1S/C32H32N6O/c1-21-6-7-24(25-5-4-14-33-19-25)17-28(21)29-18-26-20-34-32(36-30(26)38(3)31(29)39)35-27-10-8-22(9-11-27)23-12-15-37(2)16-13-23/h4-11,14,17-20,23H,12-13,15-16H2,1-3H3,(H,34,35,36)
InChIKeyDLSAOSVYAGEZDA-UHFFFAOYSA-N
MW516.65 g/mol
LogP5.92
Rot. Bonds5

About 8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one

8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 90210853) has the molecular formula C32H32N6O and a molecular weight of 516.65 g/mol. Its IUPAC name is 8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID90210853
Molecular FormulaC32H32N6O
Molecular Weight516.65 g/mol
Exact Mass516.26
IUPAC Name8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(-c2cccnc2)cc1-c1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(C)c1=O
InChIInChI=1S/C32H32N6O/c1-21-6-7-24(25-5-4-14-33-19-25)17-28(21)29-18-26-20-34-32(36-30(26)38(3)31(29)39)35-27-10-8-22(9-11-27)23-12-15-37(2)16-13-23/h4-11,14,17-20,23H,12-13,15-16H2,1-3H3,(H,34,35,36)
InChIKeyDLSAOSVYAGEZDA-UHFFFAOYSA-N
XLogP5.92
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one (CID 90210853) is 8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one is Cc1ccc(-c2cccnc2)cc1-c1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(C)c1=O.
What is the InChIKey of 8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DLSAOSVYAGEZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O/c1-21-6-7-24(25-5-4-14-33-19-25)17-28(21)29-18-26-20-34-32(36-30(26)38(3)31(29)39)35-27-10-8-22(9-11-27)23-12-15-37(2)16-13-23/h4-11,14,17-20,23H,12-13,15-16H2,1-3H3,(H,34,35,36).
What are the key properties of 8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?
8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 516.65 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90210853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).