6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C30H32Cl2N6O — CID 71249838

IUPAC6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2c(Cl)cc(C3CCNC3)cc2Cl)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21
InChIInChI=1S/C30H32Cl2N6O/c1-2-38-28-22(12-24(29(38)39)27-25(31)13-21(14-26(27)32)20-9-11-34-16-20)17-35-30(37-28)36-23-7-5-18(6-8-23)19-4-3-10-33-15-19/h5-8,12-14,17,19-20,33-34H,2-4,9-11,15-16H2,1H3,(H,35,36,37)
InChIKeyIXKPYWSRZXSGTL-UHFFFAOYSA-N
MW563.53 g/mol
LogP6.07
Rot. Bonds6

About 6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 71249838) has the molecular formula C30H32Cl2N6O and a molecular weight of 563.53 g/mol. Its IUPAC name is 6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID71249838
Molecular FormulaC30H32Cl2N6O
Molecular Weight563.53 g/mol
Exact Mass562.20
IUPAC Name6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2c(Cl)cc(C3CCNC3)cc2Cl)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21
InChIInChI=1S/C30H32Cl2N6O/c1-2-38-28-22(12-24(29(38)39)27-25(31)13-21(14-26(27)32)20-9-11-34-16-20)17-35-30(37-28)36-23-7-5-18(6-8-23)19-4-3-10-33-15-19/h5-8,12-14,17,19-20,33-34H,2-4,9-11,15-16H2,1H3,(H,35,36,37)
InChIKeyIXKPYWSRZXSGTL-UHFFFAOYSA-N
XLogP6.07
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.53
LogP ≤ 56.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 90213114
6-(2,6-dichloro-4-cyclopentylphenyl)-8-ethyl-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 157180833
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-(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-(2,6-dichloro-4-piperidin-4-ylphenyl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71249742
6-(2-chloro-4-cyclohexylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934036
6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 5327890
6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 70934502
6-(2-chloro-5-methylsulfonylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 54755306
6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71251088
7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302581

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 71249838) is 6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2c(Cl)cc(C3CCNC3)cc2Cl)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.
What is the InChIKey of 6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IXKPYWSRZXSGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N6O/c1-2-38-28-22(12-24(29(38)39)27-25(31)13-21(14-26(27)32)20-9-11-34-16-20)17-35-30(37-28)36-23-7-5-18(6-8-23)19-4-3-10-33-15-19/h5-8,12-14,17,19-20,33-34H,2-4,9-11,15-16H2,1H3,(H,35,36,37).
What are the key properties of 6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 563.53 g/mol, XLogP of 6.07, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71249838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).