6-(3-chloro-5-piperidin-2-yl-2-pyridinyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)-6-[4-piperidin-3-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one

C137H151ClF6N30O10S2 — CID 159169766

About 6-(3-chloro-5-piperidin-2-yl-2-pyridinyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)-6-[4-piperidin-3-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one

6-(3-chloro-5-piperidin-2-yl-2-pyridinyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)-6-[4-piperidin-3-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159169766) has the molecular formula C137H151ClF6N30O10S2 and a molecular weight of 2591.49 g/mol. Its IUPAC name is 6-(3-chloro-5-piperidin-2-yl-2-pyridinyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)-6-[4-piperidin-3-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(3-chloro-5-piperidin-2-yl-2-pyridinyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)-6-[4-piperidin-3-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159169766
• Molecular Formula: C137H151ClF6N30O10S2
• Molecular Weight: 2591.49 g/mol
• Exact Mass: 2589.13
• IUPAC Name: 6-(3-chloro-5-piperidin-2-yl-2-pyridinyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)-6-[4-piperidin-3-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(C)N1CCC(c2cnc(-c3cc4cnc(Nc5ccc(OC6CCN(C)CC6)cc5)nc4n(C4CCOC4)c3=O)c(C)c2)CC1.CN1CCOC(c2ccc(Nc3ncc4cc(-c5ncc(C6CCCCN6)cc5Cl)c(=O)n(Cc5nccs5)c4n3)cc2)C1.Cc1sc(C2=CN=CC2)nc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n(CC(=O)N2CCCC2)c1=O.O=c1c(-c2ccc(C3CCCNC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1CC1CCOCC1
• InChI: InChI=1S/C37H45N7O3.C36H41F3N6O3.C32H33ClN8O2S.C32H32F3N9O2S/c1-24(2)43-16-9-26(10-17-43)27-19-25(3)34(38-21-27)33-20-28-22-39-37(41-35(28)44(36(33)45)30-13-18-46-23-30)40-29-5-7-31(8-6-29)47-32-11-14-42(4)15-12-32;37-36(38,39)32-18-24(25-3-1-13-40-19-25)5-10-30(32)31-17-26-20-42-35(44-33(26)45(34(31)46)22-23-11-15-47-16-12-23)43-27-6-8-28(9-7-27)48-29-4-2-14-41-21-29;1-40-11-12-43-27(18-40)20-5-7-23(8-6-20)38-32-37-17-22-14-24(31(42)41(30(22)39-32)19-28-35-10-13-44-28)29-25(33)15-21(16-36-29)26-4-2-3-9-34-26;1-19-27(40-29(47-19)20-6-7-37-16-20)23-14-21-17-38-31(41-28(21)44(30(23)46)18-26(45)43-10-2-3-11-43)39-22-4-5-25(24(15-22)32(33,34)35)42-12-8-36-9-13-42/h5-8,19-22,26,30,32H,1,9-18,23H2,2-4H3,(H,39,40,41);5-10,17-18,20,23,25,29,40-41H,1-4,11-16,19,21-22H2,(H,42,43,44);5-8,10,13-17,26-27,34H,2-4,9,11-12,18-19H2,1H3,(H,37,38,39);4-5,7,14-17,36H,2-3,6,8-13,18H2,1H3,(H,38,39,41)
• InChIKey: KLNNBYPLJSPJOX-UHFFFAOYSA-N
• XLogP: 22.70
• TPSA: 430.70 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 30
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2591.49
LogP ≤ 5	22.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

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-(3-chloro-5-piperidin-2-yl-2-pyridinyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)-6-[4-piperidin-3-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(3-chloro-5-piperidin-2-yl-2-pyridinyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)-6-[4-piperidin-3-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 159169766) is 6-(3-chloro-5-piperidin-2-yl-2-pyridinyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)-6-[4-piperidin-3-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(3-chloro-5-piperidin-2-yl-2-pyridinyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)-6-[4-piperidin-3-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(3-chloro-5-piperidin-2-yl-2-pyridinyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)-6-[4-piperidin-3-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is C=C(C)N1CCC(c2cnc(-c3cc4cnc(Nc5ccc(OC6CCN(C)CC6)cc5)nc4n(C4CCOC4)c3=O)c(C)c2)CC1.CN1CCOC(c2ccc(Nc3ncc4cc(-c5ncc(C6CCCCN6)cc5Cl)c(=O)n(Cc5nccs5)c4n3)cc2)C1.Cc1sc(C2=CN=CC2)nc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n(CC(=O)N2CCCC2)c1=O.O=c1c(-c2ccc(C3CCCNC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1CC1CCOCC1.

What is the InChIKey of 6-(3-chloro-5-piperidin-2-yl-2-pyridinyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)-6-[4-piperidin-3-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is KLNNBYPLJSPJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45N7O3.C36H41F3N6O3.C32H33ClN8O2S.C32H32F3N9O2S/c1-24(2)43-16-9-26(10-17-43)27-19-25(3)34(38-21-27)33-20-28-22-39-37(41-35(28)44(36(33)45)30-13-18-46-23-30)40-29-5-7-31(8-6-29)47-32-11-14-42(4)15-12-32;37-36(38,39)32-18-24(25-3-1-13-40-19-25)5-10-30(32)31-17-26-20-42-35(44-33(26)45(34(31)46)22-23-11-15-47-16-12-23)43-27-6-8-28(9-7-27)48-29-4-2-14-41-21-29;1-40-11-12-43-27(18-40)20-5-7-23(8-6-20)38-32-37-17-22-14-24(31(42)41(30(22)39-32)19-28-35-10-13-44-28)29-25(33)15-21(16-36-29)26-4-2-3-9-34-26;1-19-27(40-29(47-19)20-6-7-37-16-20)23-14-21-17-38-31(41-28(21)44(30(23)46)18-26(45)43-10-2-3-11-43)39-22-4-5-25(24(15-22)32(33,34)35)42-12-8-36-9-13-42/h5-8,19-22,26,30,32H,1,9-18,23H2,2-4H3,(H,39,40,41);5-10,17-18,20,23,25,29,40-41H,1-4,11-16,19,21-22H2,(H,42,43,44);5-8,10,13-17,26-27,34H,2-4,9,11-12,18-19H2,1H3,(H,37,38,39);4-5,7,14-17,36H,2-3,6,8-13,18H2,1H3,(H,38,39,41).

What are the key properties of 6-(3-chloro-5-piperidin-2-yl-2-pyridinyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)-6-[4-piperidin-3-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

6-(3-chloro-5-piperidin-2-yl-2-pyridinyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)-6-[4-piperidin-3-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2591.49 g/mol, XLogP of 22.70, 30 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-chloro-5-piperidin-2-yl-2-pyridinyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)-6-[4-piperidin-3-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159169766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).