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

C33H31ClN6O — CID 89473911

IUPAC6-[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
SMILESCCn1c(=O)c(-c2ccc(-c3cccnc3C)cc2Cl)cc2cnc(Nc3ccc(C4=CCN(C)CC4)cc3)nc21
InChIInChI=1S/C33H31ClN6O/c1-4-40-31-25(18-29(32(40)41)28-12-9-24(19-30(28)34)27-6-5-15-35-21(27)2)20-36-33(38-31)37-26-10-7-22(8-11-26)23-13-16-39(3)17-14-23/h5-13,15,18-20H,4,14,16-17H2,1-3H3,(H,36,37,38)
InChIKeyOBQXKCFVNOPDIJ-UHFFFAOYSA-N
MW563.11 g/mol
LogP6.96
Rot. Bonds6

About 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

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 (PubChem CID 89473911) has the molecular formula C33H31ClN6O and a molecular weight of 563.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID89473911
Molecular FormulaC33H31ClN6O
Molecular Weight563.11 g/mol
Exact Mass562.22
IUPAC Name6-[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
SMILESCCn1c(=O)c(-c2ccc(-c3cccnc3C)cc2Cl)cc2cnc(Nc3ccc(C4=CCN(C)CC4)cc3)nc21
InChIInChI=1S/C33H31ClN6O/c1-4-40-31-25(18-29(32(40)41)28-12-9-24(19-30(28)34)27-6-5-15-35-21(27)2)20-36-33(38-31)37-26-10-7-22(8-11-26)23-13-16-39(3)17-14-23/h5-13,15,18-20H,4,14,16-17H2,1-3H3,(H,36,37,38)
InChIKeyOBQXKCFVNOPDIJ-UHFFFAOYSA-N
XLogP6.96
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.11
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
6-(2-chloro-4-pyridin-2-ylphenyl)-8-ethyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934558
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
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
6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 51354238
6-[2-chloro-4-(1H-indol-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934529
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
6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934044
6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 86721955
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
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-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one
CID 89474062

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c(=O)c(-c2ccc(-c3cccnc3C)cc2Cl)cc2cnc(Nc3ccc(C4=CCN(C)CC4)cc3)nc21.
What is the InChIKey of 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?
The InChIKey is OBQXKCFVNOPDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31ClN6O/c1-4-40-31-25(18-29(32(40)41)28-12-9-24(19-30(28)34)27-6-5-15-35-21(27)2)20-36-33(38-31)37-26-10-7-22(8-11-26)23-13-16-39(3)17-14-23/h5-13,15,18-20H,4,14,16-17H2,1-3H3,(H,36,37,38).
What are the key properties of 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?
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 has a molecular weight of 563.11 g/mol, XLogP of 6.96, 6 rotatable bonds, 1 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-ethyl-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 89473911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).