6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]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;methane

C124H133Cl2N27O5 — CID 162249893

About 6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]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;methane

6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]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;methane (PubChem CID 162249893) has the molecular formula C124H133Cl2N27O5 and a molecular weight of 2152.52 g/mol. Its IUPAC name is 6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]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;methane.

Molecular Properties

• Compound Name: 6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]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;methane
• PubChem CID: 162249893
• Molecular Formula: C124H133Cl2N27O5
• Molecular Weight: 2152.52 g/mol
• Exact Mass: 2150.04
• IUPAC Name: 6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]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;methane
• SMILES: C.CC(C)n1c(=O)c(-c2nccn2C2CCCC2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2c(Cl)cc(C3CCNC3)cc2Cl)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.O=c1c(-c2ccc(-c3cccnc3)cc2)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n1C1CCCC1.O=c1c(-c2ccccc2-c2ccncc2)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n1CC1CC1
• InChI: InChI=1S/C33H32N6O2.C32H31N7O.C30H32Cl2N6O.C28H34N8O.CH4/c40-32-30(23-9-7-22(8-10-23)24-4-3-16-34-19-24)18-25-20-36-33(38-31(25)39(32)27-5-1-2-6-27)37-26-11-13-28(14-12-26)41-29-15-17-35-21-29;40-31-29(28-4-2-1-3-27(28)22-11-14-33-15-12-22)17-23-18-35-32(38-30(23)39(31)20-21-5-6-21)37-25-9-7-24(8-10-25)36-26-13-16-34-19-26;1-2-38-28-22(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;1-19(2)36-25-20(17-24(27(36)37)26-30-13-16-35(26)23-5-3-4-6-23)18-31-28(33-25)32-21-7-9-22(10-8-21)34-14-11-29-12-15-34;/h3-4,7-14,16,18-20,27,29,35H,1-2,5-6,15,17,21H2,(H,36,37,38);1-4,7-12,14-15,17-18,21,26,34,36H,5-6,13,16,19-20H2,(H,35,37,38);5-8,12-14,17,19-20,33-34H,2-4,9-11,15-16H2,1H3,(H,35,36,37);7-10,13,16-19,23,29H,3-6,11-12,14-15H2,1-2H3,(H,31,32,33);1H4
• InChIKey: ZXVONEWCLLCRAZ-UHFFFAOYSA-N
• XLogP: 22.78
• TPSA: 367.49 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2152.52
LogP ≤ 5	22.78
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]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;methane?

The IUPAC name of 6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]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;methane (CID 162249893) is 6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]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;methane.

What is the SMILES notation for 6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]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;methane?

The canonical SMILES for 6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]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;methane is C.CC(C)n1c(=O)c(-c2nccn2C2CCCC2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2c(Cl)cc(C3CCNC3)cc2Cl)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.O=c1c(-c2ccc(-c3cccnc3)cc2)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n1C1CCCC1.O=c1c(-c2ccccc2-c2ccncc2)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n1CC1CC1.

What is the InChIKey of 6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]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;methane?

The InChIKey is ZXVONEWCLLCRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N6O2.C32H31N7O.C30H32Cl2N6O.C28H34N8O.CH4/c40-32-30(23-9-7-22(8-10-23)24-4-3-16-34-19-24)18-25-20-36-33(38-31(25)39(32)27-5-1-2-6-27)37-26-11-13-28(14-12-26)41-29-15-17-35-21-29;40-31-29(28-4-2-1-3-27(28)22-11-14-33-15-12-22)17-23-18-35-32(38-30(23)39(31)20-21-5-6-21)37-25-9-7-24(8-10-25)36-26-13-16-34-19-26;1-2-38-28-22(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;1-19(2)36-25-20(17-24(27(36)37)26-30-13-16-35(26)23-5-3-4-6-23)18-31-28(33-25)32-21-7-9-22(10-8-21)34-14-11-29-12-15-34;/h3-4,7-14,16,18-20,27,29,35H,1-2,5-6,15,17,21H2,(H,36,37,38);1-4,7-12,14-15,17-18,21,26,34,36H,5-6,13,16,19-20H2,(H,35,37,38);5-8,12-14,17,19-20,33-34H,2-4,9-11,15-16H2,1H3,(H,35,36,37);7-10,13,16-19,23,29H,3-6,11-12,14-15H2,1-2H3,(H,31,32,33);1H4.

What are the key properties of 6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]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;methane?

6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]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;methane has a molecular weight of 2152.52 g/mol, XLogP of 22.78, 27 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]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;methane is sourced from PubChem (CID 162249893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).