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

C35H37ClN6O — CID 89473909

IUPAC6-[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
SMILESCCn1c(=O)c(-c2ccc(-c3ccc(C)nc3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C(C)C)CC4)cc3)nc21
InChIInChI=1S/C35H37ClN6O/c1-5-42-33-28(18-31(34(42)43)30-13-10-26(19-32(30)36)27-7-6-23(4)37-20-27)21-38-35(40-33)39-29-11-8-24(9-12-29)25-14-16-41(17-15-25)22(2)3/h6-13,18-22,25H,5,14-17H2,1-4H3,(H,38,39,40)
InChIKeyGZNYQAVCMOEMQH-UHFFFAOYSA-N
MW593.18 g/mol
LogP7.83
Rot. Bonds7

About 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

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 (PubChem CID 89473909) has the molecular formula C35H37ClN6O and a molecular weight of 593.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID89473909
Molecular FormulaC35H37ClN6O
Molecular Weight593.18 g/mol
Exact Mass592.27
IUPAC Name6-[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
SMILESCCn1c(=O)c(-c2ccc(-c3ccc(C)nc3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C(C)C)CC4)cc3)nc21
InChIInChI=1S/C35H37ClN6O/c1-5-42-33-28(18-31(34(42)43)30-13-10-26(19-32(30)36)27-7-6-23(4)37-20-27)21-38-35(40-33)39-29-11-8-24(9-12-29)25-14-16-41(17-15-25)22(2)3/h6-13,18-22,25H,5,14-17H2,1-4H3,(H,38,39,40)
InChIKeyGZNYQAVCMOEMQH-UHFFFAOYSA-N
XLogP7.83
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.18
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one
CID 89474062
6-[2-chloro-4-(1H-pyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 123605882
2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 89474116
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-pyridin-2-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70934563
6-(2-chloro-4-cyclohexylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934036
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-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 123265861
6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934557
N-[5-[3-chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide
CID 70934140
6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89474054

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c(=O)c(-c2ccc(-c3ccc(C)nc3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C(C)C)CC4)cc3)nc21.
What is the InChIKey of 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?
The InChIKey is GZNYQAVCMOEMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37ClN6O/c1-5-42-33-28(18-31(34(42)43)30-13-10-26(19-32(30)36)27-7-6-23(4)37-20-27)21-38-35(40-33)39-29-11-8-24(9-12-29)25-14-16-41(17-15-25)22(2)3/h6-13,18-22,25H,5,14-17H2,1-4H3,(H,38,39,40).
What are the key properties of 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?
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 has a molecular weight of 593.18 g/mol, XLogP of 7.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89473909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).