6-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C129H128Cl4F3N27O8S — CID 159872181

About 6-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159872181) has the molecular formula C129H128Cl4F3N27O8S and a molecular weight of 2415.50 g/mol. Its IUPAC name is 6-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159872181
• Molecular Formula: C129H128Cl4F3N27O8S
• Molecular Weight: 2415.50 g/mol
• Exact Mass: 2411.89
• IUPAC Name: 6-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(C)n1c(=O)c(-c2ccc(-c3cnn(C)c3)cc2Cl)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc21.CN1CCC(Oc2ccc(Nc3ncc4cc(-c5ncc(-c6ccnn6C)cc5Cl)c(=O)n(CC5CC5)c4n3)cc2)C1.CN1CCOC(c2ccc(Nc3ncc4cc(-c5ccc(-c6cccn6C)cc5C(F)(F)F)c(=O)n(C5CCCC5)c4n3)cc2)C1.Cn1ccnc1-c1cc(Cl)c(-c2cc3cnc(Nc4ccc(C5CCCCS5)cc4)nc3n(C3CCOC3)c2=O)c(Cl)c1
• InChI: InChI=1S/C35H35F3N6O2.C32H30Cl2N6O2S.C31H31ClN8O2.C31H32ClN7O2/c1-42-16-17-46-31(21-42)22-9-12-25(13-10-22)40-34-39-20-24-18-28(33(45)44(32(24)41-34)26-6-3-4-7-26)27-14-11-23(19-29(27)35(36,37)38)30-8-5-15-43(30)2;1-39-11-10-35-29(39)20-15-25(33)28(26(34)16-20)24-14-21-17-36-32(38-30(21)40(31(24)41)23-9-12-42-18-23)37-22-7-5-19(6-8-22)27-4-2-3-13-43-27;1-38-12-10-24(18-38)42-23-7-5-22(6-8-23)36-31-34-16-21-13-25(30(41)40(29(21)37-31)17-19-3-4-19)28-26(32)14-20(15-33-28)27-9-11-35-39(27)2;1-19(2)39-29-21(14-27(30(39)40)26-9-4-20(15-28(26)32)22-17-35-38(3)18-22)16-34-31(37-29)36-23-5-7-24(8-6-23)41-25-10-12-33-13-11-25/h5,8-15,18-20,26,31H,3-4,6-7,16-17,21H2,1-2H3,(H,39,40,41);5-8,10-11,14-17,23,27H,2-4,9,12-13,18H2,1H3,(H,36,37,38);5-9,11,13-16,19,24H,3-4,10,12,17-18H2,1-2H3,(H,34,36,37);4-9,14-19,25,33H,10-13H2,1-3H3,(H,34,36,37)
• InChIKey: NSMKVXBENYVVIL-UHFFFAOYSA-N
• XLogP: 26.29
• TPSA: 365.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2415.50
LogP ≤ 5	26.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 159872181) is 6-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)c(-c2ccc(-c3cnn(C)c3)cc2Cl)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc21.CN1CCC(Oc2ccc(Nc3ncc4cc(-c5ncc(-c6ccnn6C)cc5Cl)c(=O)n(CC5CC5)c4n3)cc2)C1.CN1CCOC(c2ccc(Nc3ncc4cc(-c5ccc(-c6cccn6C)cc5C(F)(F)F)c(=O)n(C5CCCC5)c4n3)cc2)C1.Cn1ccnc1-c1cc(Cl)c(-c2cc3cnc(Nc4ccc(C5CCCCS5)cc4)nc3n(C3CCOC3)c2=O)c(Cl)c1.

What is the InChIKey of 6-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is NSMKVXBENYVVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F3N6O2.C32H30Cl2N6O2S.C31H31ClN8O2.C31H32ClN7O2/c1-42-16-17-46-31(21-42)22-9-12-25(13-10-22)40-34-39-20-24-18-28(33(45)44(32(24)41-34)26-6-3-4-7-26)27-14-11-23(19-29(27)35(36,37)38)30-8-5-15-43(30)2;1-39-11-10-35-29(39)20-15-25(33)28(26(34)16-20)24-14-21-17-36-32(38-30(21)40(31(24)41)23-9-12-42-18-23)37-22-7-5-19(6-8-22)27-4-2-3-13-43-27;1-38-12-10-24(18-38)42-23-7-5-22(6-8-23)36-31-34-16-21-13-25(30(41)40(29(21)37-31)17-19-3-4-19)28-26(32)14-20(15-33-28)27-9-11-35-39(27)2;1-19(2)39-29-21(14-27(30(39)40)26-9-4-20(15-28(26)32)22-17-35-38(3)18-22)16-34-31(37-29)36-23-5-7-24(8-6-23)41-25-10-12-33-13-11-25/h5,8-15,18-20,26,31H,3-4,6-7,16-17,21H2,1-2H3,(H,39,40,41);5-8,10-11,14-17,23,27H,2-4,9,12-13,18H2,1H3,(H,36,37,38);5-9,11,13-16,19,24H,3-4,10,12,17-18H2,1-2H3,(H,34,36,37);4-9,14-19,25,33H,10-13H2,1-3H3,(H,34,36,37).

What are the key properties of 6-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2415.50 g/mol, XLogP of 26.29, 27 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylpyrrol-2-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159872181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).