6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride

C137H143Cl4F6N27O4S2 — CID 157061107

About 6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride

6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride (PubChem CID 157061107) has the molecular formula C137H143Cl4F6N27O4S2 and a molecular weight of 2551.77 g/mol. Its IUPAC name is 6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
• PubChem CID: 157061107
• Molecular Formula: C137H143Cl4F6N27O4S2
• Molecular Weight: 2551.77 g/mol
• Exact Mass: 2547.99
• IUPAC Name: 6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
• SMILES: C=C(C)N1CCC(c2ccc(-c3cc4cnc(Nc5ccc(N6CCNCC6)cc5)nc4n(-c4nccs4)c3=O)c(C(F)(F)F)c2)C1.C=CNC(=S)Cn1c(=O)c(-c2ccc(C3CCCN3C(=C)C)cc2Cl)cc2cnc(Nc3ccc(CC4CCNC4)cc3)nc21.CN1CCC(c2cnc(-c3cc4cnc(Nc5ccc(C6CCN(C)C6)cc5)nc4n(CC(F)(F)F)c3=O)c(Cl)c2)CC1.CN1CCCC(c2ccc(-c3cc4cnc(Nc5ccc(C6CCCCC6)cc5)nc4n(-c4ccccc4)c3=O)c(Cl)c2)C1.Cl
• InChI: InChI=1S/C37H38ClN5O.C35H38ClN7OS.C34H33F3N8OS.C31H33ClF3N7O.ClH/c1-42-20-8-11-28(24-42)27-16-19-32(34(38)22-27)33-21-29-23-39-37(41-35(29)43(36(33)44)31-12-6-3-7-13-31)40-30-17-14-26(15-18-30)25-9-4-2-5-10-25;1-4-38-32(45)21-43-33-26(20-39-35(41-33)40-27-10-7-23(8-11-27)16-24-13-14-37-19-24)17-29(34(43)44)28-12-9-25(18-30(28)36)31-6-5-15-42(31)22(2)3;1-21(2)44-13-9-23(20-44)22-3-8-27(29(18-22)34(35,36)37)28-17-24-19-40-32(42-30(24)45(31(28)46)33-39-12-16-47-33)41-25-4-6-26(7-5-25)43-14-10-38-11-15-43;1-40-10-7-20(8-11-40)22-14-26(32)27(36-15-22)25-13-23-16-37-30(39-28(23)42(29(25)43)18-31(33,34)35)38-24-5-3-19(4-6-24)21-9-12-41(2)17-21;/h3,6-7,12-19,21-23,25,28H,2,4-5,8-11,20,24H2,1H3,(H,39,40,41);4,7-12,17-18,20,24,31,37H,1-2,5-6,13-16,19,21H2,3H3,(H,38,45)(H,39,40,41);3-8,12,16-19,23,38H,1,9-11,13-15,20H2,2H3,(H,40,41,42);3-6,13-16,20-21H,7-12,17-18H2,1-2H3,(H,37,38,39);1H
• InChIKey: PVJPWEDGWFIJJM-UHFFFAOYSA-N
• XLogP: 28.30
• TPSA: 320.55 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2551.77
LogP ≤ 5	28.30
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride?

The IUPAC name of 6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride (CID 157061107) is 6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride.

What is the SMILES notation for 6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride?

The canonical SMILES for 6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride is C=C(C)N1CCC(c2ccc(-c3cc4cnc(Nc5ccc(N6CCNCC6)cc5)nc4n(-c4nccs4)c3=O)c(C(F)(F)F)c2)C1.C=CNC(=S)Cn1c(=O)c(-c2ccc(C3CCCN3C(=C)C)cc2Cl)cc2cnc(Nc3ccc(CC4CCNC4)cc3)nc21.CN1CCC(c2cnc(-c3cc4cnc(Nc5ccc(C6CCN(C)C6)cc5)nc4n(CC(F)(F)F)c3=O)c(Cl)c2)CC1.CN1CCCC(c2ccc(-c3cc4cnc(Nc5ccc(C6CCCCC6)cc5)nc4n(-c4ccccc4)c3=O)c(Cl)c2)C1.Cl.

What is the InChIKey of 6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride?

The InChIKey is PVJPWEDGWFIJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38ClN5O.C35H38ClN7OS.C34H33F3N8OS.C31H33ClF3N7O.ClH/c1-42-20-8-11-28(24-42)27-16-19-32(34(38)22-27)33-21-29-23-39-37(41-35(29)43(36(33)44)31-12-6-3-7-13-31)40-30-17-14-26(15-18-30)25-9-4-2-5-10-25;1-4-38-32(45)21-43-33-26(20-39-35(41-33)40-27-10-7-23(8-11-27)16-24-13-14-37-19-24)17-29(34(43)44)28-12-9-25(18-30(28)36)31-6-5-15-42(31)22(2)3;1-21(2)44-13-9-23(20-44)22-3-8-27(29(18-22)34(35,36)37)28-17-24-19-40-32(42-30(24)45(31(28)46)33-39-12-16-47-33)41-25-4-6-26(7-5-25)43-14-10-38-11-15-43;1-40-10-7-20(8-11-40)22-14-26(32)27(36-15-22)25-13-23-16-37-30(39-28(23)42(29(25)43)18-31(33,34)35)38-24-5-3-19(4-6-24)21-9-12-41(2)17-21;/h3,6-7,12-19,21-23,25,28H,2,4-5,8-11,20,24H2,1H3,(H,39,40,41);4,7-12,17-18,20,24,31,37H,1-2,5-6,13-16,19,21H2,3H3,(H,38,45)(H,39,40,41);3-8,12,16-19,23,38H,1,9-11,13-15,20H2,2H3,(H,40,41,42);3-6,13-16,20-21H,7-12,17-18H2,1-2H3,(H,37,38,39);1H.

What are the key properties of 6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride?

6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride has a molecular weight of 2551.77 g/mol, XLogP of 28.30, 29 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(1-methylpiperidin-3-yl)phenyl]-2-(4-cyclohexylanilino)-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[6-[2-chloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-7-oxo-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-N-ethenylethanethioamide;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 157061107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).