6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane

C129H134Cl3F3N28O8S — CID 158493581

About 6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane

6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane (PubChem CID 158493581) has the molecular formula C129H134Cl3F3N28O8S and a molecular weight of 2400.10 g/mol. Its IUPAC name is 6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane.

Molecular Properties

• Compound Name: 6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane
• PubChem CID: 158493581
• Molecular Formula: C129H134Cl3F3N28O8S
• Molecular Weight: 2400.10 g/mol
• Exact Mass: 2396.97
• IUPAC Name: 6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane
• SMILES: C.CC(C)n1c(=O)c(-c2c(Cl)cc(-c3cccn3C)cc2Cl)cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccn3C)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(C5=NC=CC5c5cncn5C)c(=O)n(CC5CC5)c4n3)cc2)CC1.CS(=O)(=O)N1CCC(n2c(=O)c(-c3ncc(-c4ccncc4)cc3Cl)cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc32)CC1
• InChI: InChI=1S/C33H34Cl2N6O.C33H33ClN8O4S.C31H29F3N6O2.C31H34N8O.CH4/c1-20(2)41-31-24(15-26(32(41)42)30-27(34)16-23(17-28(30)35)29-8-6-14-40(29)4)18-36-33(38-31)37-25-11-9-21(10-12-25)22-7-5-13-39(3)19-22;1-47(44,45)41-14-9-25(10-15-41)42-31-23(16-28(32(42)43)30-29(34)17-22(18-37-30)21-6-11-35-12-7-21)19-38-33(40-31)39-24-2-4-26(5-3-24)46-27-8-13-36-20-27;1-3-40-28-21(17-36-30(38-28)37-22-9-6-19(7-10-22)27-18-35-12-14-42-27)15-24(29(40)41)23-11-8-20(16-25(23)31(32,33)34)26-5-4-13-39(26)2;1-37-13-10-22(11-14-37)21-5-7-24(8-6-21)35-31-34-16-23-15-26(30(40)39(29(23)36-31)18-20-3-4-20)28-25(9-12-33-28)27-17-32-19-38(27)2;/h6,8-12,14-18,20,22H,5,7,13,19H2,1-4H3,(H,36,37,38);2-7,11-12,16-19,25,27,36H,8-10,13-15,20H2,1H3,(H,38,39,40);4-11,13,15-17,27,35H,3,12,14,18H2,1-2H3,(H,36,37,38);5-9,12,15-17,19-20,22,25H,3-4,10-11,13-14,18H2,1-2H3,(H,34,35,36);1H4
• InChIKey: HIZOQNKXENKFJO-UHFFFAOYSA-N
• XLogP: 23.69
• TPSA: 391.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2400.10
LogP ≤ 5	23.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane?

The IUPAC name of 6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane (CID 158493581) is 6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane.

What is the SMILES notation for 6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane?

The canonical SMILES for 6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane is C.CC(C)n1c(=O)c(-c2c(Cl)cc(-c3cccn3C)cc2Cl)cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccn3C)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(C5=NC=CC5c5cncn5C)c(=O)n(CC5CC5)c4n3)cc2)CC1.CS(=O)(=O)N1CCC(n2c(=O)c(-c3ncc(-c4ccncc4)cc3Cl)cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc32)CC1.

What is the InChIKey of 6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane?

The InChIKey is HIZOQNKXENKFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34Cl2N6O.C33H33ClN8O4S.C31H29F3N6O2.C31H34N8O.CH4/c1-20(2)41-31-24(15-26(32(41)42)30-27(34)16-23(17-28(30)35)29-8-6-14-40(29)4)18-36-33(38-31)37-25-11-9-21(10-12-25)22-7-5-13-39(3)19-22;1-47(44,45)41-14-9-25(10-15-41)42-31-23(16-28(32(42)43)30-29(34)17-22(18-37-30)21-6-11-35-12-7-21)19-38-33(40-31)39-24-2-4-26(5-3-24)46-27-8-13-36-20-27;1-3-40-28-21(17-36-30(38-28)37-22-9-6-19(7-10-22)27-18-35-12-14-42-27)15-24(29(40)41)23-11-8-20(16-25(23)31(32,33)34)26-5-4-13-39(26)2;1-37-13-10-22(11-14-37)21-5-7-24(8-6-21)35-31-34-16-23-15-26(30(40)39(29(23)36-31)18-20-3-4-20)28-25(9-12-33-28)27-17-32-19-38(27)2;/h6,8-12,14-18,20,22H,5,7,13,19H2,1-4H3,(H,36,37,38);2-7,11-12,16-19,25,27,36H,8-10,13-15,20H2,1H3,(H,38,39,40);4-11,13,15-17,27,35H,3,12,14,18H2,1-2H3,(H,36,37,38);5-9,12,15-17,19-20,22,25H,3-4,10-11,13-14,18H2,1-2H3,(H,34,35,36);1H4.

What are the key properties of 6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane?

6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane has a molecular weight of 2400.10 g/mol, XLogP of 23.69, 27 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-chloro-5-pyridin-4-yl-2-pyridinyl)-8-(1-methylsulfonylpiperidin-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-(3-methylimidazol-4-yl)-3H-pyrrol-2-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane is sourced from PubChem (CID 158493581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).