8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate

C159H165Cl2F3N32O14S2 — CID 162151087

About 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate

8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate (PubChem CID 162151087) has the molecular formula C159H165Cl2F3N32O14S2 and a molecular weight of 2940.31 g/mol. Its IUPAC name is 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate.

Molecular Properties

• Compound Name: 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate
• PubChem CID: 162151087
• Molecular Formula: C159H165Cl2F3N32O14S2
• Molecular Weight: 2940.31 g/mol
• Exact Mass: 2937.20
• IUPAC Name: 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate
• SMILES: CN(C)CCn1c(=O)c(-c2ncccc2-c2cnoc2)cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc21.CSN1CCC(c2ccc(-c3cc4cnc(Nc5ccc(C6CN(C)CCO6)cc5)nc4n(CC4CC4)c3=O)c(C(F)(F)F)c2)CC1.O.O.O=c1c(-c2c(Cl)cc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n1C1CCCC1.O=c1c(-c2ccc(-c3ccco3)cc2)cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n1-c1ccccc1.O=c1c(-c2nccn2-c2ccoc2)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n1C1CCOC1
• InChI: InChI=1S/C35H39F3N6O2S.C33H27N5O2S.C32H33Cl2N5O2.C30H33N9O2.C29H29N7O4.2H2O/c1-42-15-16-46-31(21-42)24-5-8-27(9-6-24)40-34-39-19-26-17-29(33(45)44(32(26)41-34)20-22-3-4-22)28-10-7-25(18-30(28)35(36,37)38)23-11-13-43(47-2)14-12-23;39-32-28(22-8-10-23(11-9-22)29-7-4-17-40-29)19-25-20-35-33(37-31(25)38(32)27-5-2-1-3-6-27)36-26-14-12-24(13-15-26)30-21-34-16-18-41-30;33-27-16-20(19-5-6-19)17-28(34)29(27)26-15-21-18-36-32(38-30(21)39(31(26)40)23-3-1-2-4-23)37-22-7-9-24(10-8-22)41-25-11-13-35-14-12-25;1-37(2)13-14-39-28-20(15-26(29(39)40)27-25(5-4-11-31-27)21-17-33-41-19-21)16-32-30(36-28)35-23-8-6-22(7-9-23)34-24-10-12-38(3)18-24;37-28-25(27-31-11-12-35(27)21-7-13-38-17-21)15-19-16-32-29(34-26(19)36(28)22-8-14-39-18-22)33-20-1-3-23(4-2-20)40-24-5-9-30-10-6-24;;/h5-10,17-19,22-23,31H,3-4,11-16,20-21H2,1-2H3,(H,39,40,41);1-15,17,19-20,30,34H,16,18,21H2,(H,35,36,37);7-10,15-19,23,25,35H,1-6,11-14H2,(H,36,37,38);4-9,11,15-17,19,24,34H,10,12-14,18H2,1-3H3,(H,32,35,36);1-4,7,11-13,15-17,22,24,30H,5-6,8-10,14,18H2,(H,32,33,34);2*1H2
• InChIKey: UQHXEPQFYWZXKN-UHFFFAOYSA-N
• XLogP: 27.91
• TPSA: 543.07 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 46
• Rotatable Bonds: 37
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2940.31
LogP ≤ 5	27.91
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate?

The IUPAC name of 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate (CID 162151087) is 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate.

What is the SMILES notation for 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate?

The canonical SMILES for 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate is CN(C)CCn1c(=O)c(-c2ncccc2-c2cnoc2)cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc21.CSN1CCC(c2ccc(-c3cc4cnc(Nc5ccc(C6CN(C)CCO6)cc5)nc4n(CC4CC4)c3=O)c(C(F)(F)F)c2)CC1.O.O.O=c1c(-c2c(Cl)cc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n1C1CCCC1.O=c1c(-c2ccc(-c3ccco3)cc2)cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n1-c1ccccc1.O=c1c(-c2nccn2-c2ccoc2)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n1C1CCOC1.

What is the InChIKey of 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate?

The InChIKey is UQHXEPQFYWZXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39F3N6O2S.C33H27N5O2S.C32H33Cl2N5O2.C30H33N9O2.C29H29N7O4.2H2O/c1-42-15-16-46-31(21-42)24-5-8-27(9-6-24)40-34-39-19-26-17-29(33(45)44(32(26)41-34)20-22-3-4-22)28-10-7-25(18-30(28)35(36,37)38)23-11-13-43(47-2)14-12-23;39-32-28(22-8-10-23(11-9-22)29-7-4-17-40-29)19-25-20-35-33(37-31(25)38(32)27-5-2-1-3-6-27)36-26-14-12-24(13-15-26)30-21-34-16-18-41-30;33-27-16-20(19-5-6-19)17-28(34)29(27)26-15-21-18-36-32(38-30(21)39(31(26)40)23-3-1-2-4-23)37-22-7-9-24(10-8-22)41-25-11-13-35-14-12-25;1-37(2)13-14-39-28-20(15-26(29(39)40)27-25(5-4-11-31-27)21-17-33-41-19-21)16-32-30(36-28)35-23-8-6-22(7-9-23)34-24-10-12-38(3)18-24;37-28-25(27-31-11-12-35(27)21-7-13-38-17-21)15-19-16-32-29(34-26(19)36(28)22-8-14-39-18-22)33-20-1-3-23(4-2-20)40-24-5-9-30-10-6-24;;/h5-10,17-19,22-23,31H,3-4,11-16,20-21H2,1-2H3,(H,39,40,41);1-15,17,19-20,30,34H,16,18,21H2,(H,35,36,37);7-10,15-19,23,25,35H,1-6,11-14H2,(H,36,37,38);4-9,11,15-17,19,24,34H,10,12-14,18H2,1-3H3,(H,32,35,36);1-4,7,11-13,15-17,22,24,30H,5-6,8-10,14,18H2,(H,32,33,34);2*1H2.

What are the key properties of 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate?

8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate has a molecular weight of 2940.31 g/mol, XLogP of 27.91, 37 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate is sourced from PubChem (CID 162151087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).