N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-(1,2-dihydropyridin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(4-propan-2-ylcyclohexyl)-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-(1,2-thiazolidin-2-yl)ethyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one

C132H140ClF3N30O12S3 — CID 158353985

About N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-(1,2-dihydropyridin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(4-propan-2-ylcyclohexyl)-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-(1,2-thiazolidin-2-yl)ethyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one

N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-(1,2-dihydropyridin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(4-propan-2-ylcyclohexyl)-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-(1,2-thiazolidin-2-yl)ethyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158353985) has the molecular formula C132H140ClF3N30O12S3 and a molecular weight of 2527.42 g/mol. Its IUPAC name is N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-(1,2-dihydropyridin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(4-propan-2-ylcyclohexyl)-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-(1,2-thiazolidin-2-yl)ethyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-(1,2-dihydropyridin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(4-propan-2-ylcyclohexyl)-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-(1,2-thiazolidin-2-yl)ethyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158353985
• Molecular Formula: C132H140ClF3N30O12S3
• Molecular Weight: 2527.42 g/mol
• Exact Mass: 2525.01
• IUPAC Name: N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-(1,2-dihydropyridin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(4-propan-2-ylcyclohexyl)-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-(1,2-thiazolidin-2-yl)ethyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN(CCn1c(=O)c(-c2ccc(-c3nnco3)cc2Cl)cc2cnc(Nc3ccc(C4=CCNC=C4)cc3)nc21)S(C)(=O)=O.Cc1cc(C2CCC(C(C)C)CC2)cnc1-c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(C2CCOC2)c1=O.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CCNC5)cc4)nc3n(CCN3CCOCC3)c2=O)c(-c2cocn2)c1.Cc1sc(C2=CN=CC2)nc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n(CC(=O)N2CCCS2)c1=O
• InChI: InChI=1S/C38H48N6O3.C33H35N7O3.C31H30F3N9O2S2.C30H27ClN8O4S/c1-24(2)26-5-7-27(8-6-26)28-19-25(3)35(39-21-28)34-20-29-22-40-38(42-36(29)44(37(34)45)31-15-18-46-23-31)41-30-9-11-32(12-10-30)47-33-13-16-43(4)17-14-33;1-22-2-7-27(28(16-22)30-20-43-21-36-30)29-17-25-19-35-33(37-26-5-3-23(4-6-26)24-8-9-34-18-24)38-31(25)40(32(29)41)11-10-39-12-14-42-15-13-39;1-18-26(39-28(47-18)19-5-6-36-15-19)22-13-20-16-37-30(40-27(20)42(29(22)45)17-25(44)43-9-2-12-46-43)38-21-3-4-24(23(14-21)31(32,33)34)41-10-7-35-8-11-41;1-38(44(2,41)42)13-14-39-27-22(15-25(29(39)40)24-8-5-21(16-26(24)31)28-37-34-18-43-28)17-33-30(36-27)35-23-6-3-19(4-7-23)20-9-11-32-12-10-20/h9-12,19-22,24,26-27,31,33H,5-8,13-18,23H2,1-4H3,(H,40,41,42);2-7,16-17,19-21,24,34H,8-15,18H2,1H3,(H,35,37,38);3-4,6,13-16,35H,2,5,7-12,17H2,1H3,(H,37,38,40);3-11,15-18,32H,12-14H2,1-2H3,(H,33,35,36)
• InChIKey: GSQRHYGJSUOFBT-UHFFFAOYSA-N
• XLogP: 21.23
• TPSA: 473.52 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 42
• Rotatable Bonds: 32
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2527.42
LogP ≤ 5	21.23
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-(1,2-dihydropyridin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(4-propan-2-ylcyclohexyl)-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-(1,2-thiazolidin-2-yl)ethyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-(1,2-dihydropyridin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(4-propan-2-ylcyclohexyl)-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-(1,2-thiazolidin-2-yl)ethyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 158353985) is N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-(1,2-dihydropyridin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(4-propan-2-ylcyclohexyl)-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-(1,2-thiazolidin-2-yl)ethyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-(1,2-dihydropyridin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(4-propan-2-ylcyclohexyl)-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-(1,2-thiazolidin-2-yl)ethyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-(1,2-dihydropyridin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(4-propan-2-ylcyclohexyl)-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-(1,2-thiazolidin-2-yl)ethyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one is CN(CCn1c(=O)c(-c2ccc(-c3nnco3)cc2Cl)cc2cnc(Nc3ccc(C4=CCNC=C4)cc3)nc21)S(C)(=O)=O.Cc1cc(C2CCC(C(C)C)CC2)cnc1-c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(C2CCOC2)c1=O.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CCNC5)cc4)nc3n(CCN3CCOCC3)c2=O)c(-c2cocn2)c1.Cc1sc(C2=CN=CC2)nc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n(CC(=O)N2CCCS2)c1=O.

What is the InChIKey of N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-(1,2-dihydropyridin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(4-propan-2-ylcyclohexyl)-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-(1,2-thiazolidin-2-yl)ethyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GSQRHYGJSUOFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N6O3.C33H35N7O3.C31H30F3N9O2S2.C30H27ClN8O4S/c1-24(2)26-5-7-27(8-6-26)28-19-25(3)35(39-21-28)34-20-29-22-40-38(42-36(29)44(37(34)45)31-15-18-46-23-31)41-30-9-11-32(12-10-30)47-33-13-16-43(4)17-14-33;1-22-2-7-27(28(16-22)30-20-43-21-36-30)29-17-25-19-35-33(37-26-5-3-23(4-6-26)24-8-9-34-18-24)38-31(25)40(32(29)41)11-10-39-12-14-42-15-13-39;1-18-26(39-28(47-18)19-5-6-36-15-19)22-13-20-16-37-30(40-27(20)42(29(22)45)17-25(44)43-9-2-12-46-43)38-21-3-4-24(23(14-21)31(32,33)34)41-10-7-35-8-11-41;1-38(44(2,41)42)13-14-39-27-22(15-25(29(39)40)24-8-5-21(16-26(24)31)28-37-34-18-43-28)17-33-30(36-27)35-23-6-3-19(4-7-23)20-9-11-32-12-10-20/h9-12,19-22,24,26-27,31,33H,5-8,13-18,23H2,1-4H3,(H,40,41,42);2-7,16-17,19-21,24,34H,8-15,18H2,1H3,(H,35,37,38);3-4,6,13-16,35H,2,5,7-12,17H2,1H3,(H,37,38,40);3-11,15-18,32H,12-14H2,1-2H3,(H,33,35,36).

What are the key properties of N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-(1,2-dihydropyridin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(4-propan-2-ylcyclohexyl)-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-(1,2-thiazolidin-2-yl)ethyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one?

N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-(1,2-dihydropyridin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(4-propan-2-ylcyclohexyl)-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-(1,2-thiazolidin-2-yl)ethyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2527.42 g/mol, XLogP of 21.23, 32 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-(1,2-dihydropyridin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(4-propan-2-ylcyclohexyl)-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-(1,2-thiazolidin-2-yl)ethyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158353985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).