6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C31H29ClN6O — CID 89474122

IUPAC6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncccc1-c1ccc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(C)c2=O)c(Cl)c1
InChIInChI=1S/C31H29ClN6O/c1-19-25(4-3-13-34-19)22-7-10-26(28(32)17-22)27-16-23-18-35-31(37-29(23)38(2)30(27)39)36-24-8-5-20(6-9-24)21-11-14-33-15-12-21/h3-10,13,16-18,21,33H,11-12,14-15H2,1-2H3,(H,35,36,37)
InChIKeyOHSVQFDDLSUNIO-UHFFFAOYSA-N
MW537.07 g/mol
LogP6.23
Rot. Bonds5

About 6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 89474122) has the molecular formula C31H29ClN6O and a molecular weight of 537.07 g/mol. Its IUPAC name is 6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID89474122
Molecular FormulaC31H29ClN6O
Molecular Weight537.07 g/mol
Exact Mass536.21
IUPAC Name6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncccc1-c1ccc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(C)c2=O)c(Cl)c1
InChIInChI=1S/C31H29ClN6O/c1-19-25(4-3-13-34-19)22-7-10-26(28(32)17-22)27-16-23-18-35-31(37-29(23)38(2)30(27)39)36-24-8-5-20(6-9-24)21-11-14-33-15-12-21/h3-10,13,16-18,21,33H,11-12,14-15H2,1-2H3,(H,35,36,37)
InChIKeyOHSVQFDDLSUNIO-UHFFFAOYSA-N
XLogP6.23
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.07
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 89474124
6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89474073
6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[3-fluoro-4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(3-fluoro-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 160812599
6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71249747
6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 51354239
6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89473911
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
6-(2-chloro-4-pyridin-2-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70934563
8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one
CID 89474107
2-anilino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354763
6-[2-chloro-5-fluoro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89474081
6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89473909

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 89474122) is 6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is Cc1ncccc1-c1ccc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(C)c2=O)c(Cl)c1.
What is the InChIKey of 6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OHSVQFDDLSUNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClN6O/c1-19-25(4-3-13-34-19)22-7-10-26(28(32)17-22)27-16-23-18-35-31(37-29(23)38(2)30(27)39)36-24-8-5-20(6-9-24)21-11-14-33-15-12-21/h3-10,13,16-18,21,33H,11-12,14-15H2,1-2H3,(H,35,36,37).
What are the key properties of 6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 537.07 g/mol, XLogP of 6.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 89474122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).