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

C143H160Cl2F3N29O8S2 — CID 161425236

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

6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpiperidin-2-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(3-prop-1-en-2-ylcyclopentyl)-2-pyridinyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161425236) has the molecular formula C143H160Cl2F3N29O8S2 and a molecular weight of 2605.08 g/mol. Its IUPAC name is 6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpiperidin-2-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(3-prop-1-en-2-ylcyclopentyl)-2-pyridinyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpiperidin-2-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(3-prop-1-en-2-ylcyclopentyl)-2-pyridinyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161425236
• Molecular Formula: C143H160Cl2F3N29O8S2
• Molecular Weight: 2605.08 g/mol
• Exact Mass: 2602.18
• IUPAC Name: 6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpiperidin-2-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(3-prop-1-en-2-ylcyclopentyl)-2-pyridinyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(C)C1CCC(c2cnc(-c3cc4cnc(Nc5ccc(N6CCNCC6)c(C)c5)nc4n(CC4CCOCC4)c3=O)c(Cl)c2)C1.CC(=O)N1CCCC1c1ccc(-c2cc3cnc(Nc4ccc(N(C)C5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)c(C(F)(F)F)c1.CN1CCCCC1c1ccc(-c2cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc3n(Cc3nccs3)c2=O)c(Cl)c1.Cc1ccc(-c2cc3cnc(Nc4ccc(OC5CCN(C)C5)cc4)nc3n(C3=NC=CC3)c2=O)c(C2CCN(C)CC2)c1
• InChI: InChI=1S/C38H43F3N8O3.C37H44ClN7O2.C35H39N7O2.C33H34ClN7OS2/c1-24(50)48-19-5-6-33(48)25-7-12-30(32(21-25)38(39,40)41)31-20-26-22-43-37(45-35(26)49(36(31)52)23-34(51)47-17-3-4-18-47)44-27-8-10-28(11-9-27)46(2)29-13-15-42-16-14-29;1-23(2)26-4-5-27(17-26)28-19-32(38)34(40-20-28)31-18-29-21-41-37(43-35(29)45(36(31)46)22-25-8-14-47-15-9-25)42-30-6-7-33(24(3)16-30)44-12-10-39-11-13-44;1-23-6-11-29(30(19-23)24-12-16-40(2)17-13-24)31-20-25-21-37-35(39-33(25)42(34(31)43)32-5-4-15-36-32)38-26-7-9-27(10-8-26)44-28-14-18-41(3)22-28;1-40-13-3-2-4-28(40)22-7-10-25(27(34)17-22)26-16-23-18-37-33(39-31(23)41(32(26)42)20-30-36-12-15-44-30)38-24-8-5-21(6-9-24)29-19-35-11-14-43-29/h7-12,20-22,29,33,42H,3-6,13-19,23H2,1-2H3,(H,43,44,45);6-7,16,18-21,25-27,39H,1,4-5,8-15,17,22H2,2-3H3,(H,41,42,43);4,6-11,15,19-21,24,28H,5,12-14,16-18,22H2,1-3H3,(H,37,38,39);5-10,12,15-18,28-29,35H,2-4,11,13-14,19-20H2,1H3,(H,37,38,39)
• InChIKey: VXGPWTGSKFEULW-UHFFFAOYSA-N
• XLogP: 25.03
• TPSA: 388.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2605.08
LogP ≤ 5	25.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpiperidin-2-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(3-prop-1-en-2-ylcyclopentyl)-2-pyridinyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpiperidin-2-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(3-prop-1-en-2-ylcyclopentyl)-2-pyridinyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 161425236) is 6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpiperidin-2-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(3-prop-1-en-2-ylcyclopentyl)-2-pyridinyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one.

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

The canonical SMILES for 6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpiperidin-2-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(3-prop-1-en-2-ylcyclopentyl)-2-pyridinyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one is C=C(C)C1CCC(c2cnc(-c3cc4cnc(Nc5ccc(N6CCNCC6)c(C)c5)nc4n(CC4CCOCC4)c3=O)c(Cl)c2)C1.CC(=O)N1CCCC1c1ccc(-c2cc3cnc(Nc4ccc(N(C)C5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)c(C(F)(F)F)c1.CN1CCCCC1c1ccc(-c2cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc3n(Cc3nccs3)c2=O)c(Cl)c1.Cc1ccc(-c2cc3cnc(Nc4ccc(OC5CCN(C)C5)cc4)nc3n(C3=NC=CC3)c2=O)c(C2CCN(C)CC2)c1.

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

The InChIKey is VXGPWTGSKFEULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43F3N8O3.C37H44ClN7O2.C35H39N7O2.C33H34ClN7OS2/c1-24(50)48-19-5-6-33(48)25-7-12-30(32(21-25)38(39,40)41)31-20-26-22-43-37(45-35(26)49(36(31)52)23-34(51)47-17-3-4-18-47)44-27-8-10-28(11-9-27)46(2)29-13-15-42-16-14-29;1-23(2)26-4-5-27(17-26)28-19-32(38)34(40-20-28)31-18-29-21-41-37(43-35(29)45(36(31)46)22-25-8-14-47-15-9-25)42-30-6-7-33(24(3)16-30)44-12-10-39-11-13-44;1-23-6-11-29(30(19-23)24-12-16-40(2)17-13-24)31-20-25-21-37-35(39-33(25)42(34(31)43)32-5-4-15-36-32)38-26-7-9-27(10-8-26)44-28-14-18-41(3)22-28;1-40-13-3-2-4-28(40)22-7-10-25(27(34)17-22)26-16-23-18-37-33(39-31(23)41(32(26)42)20-30-36-12-15-44-30)38-24-8-5-21(6-9-24)29-19-35-11-14-43-29/h7-12,20-22,29,33,42H,3-6,13-19,23H2,1-2H3,(H,43,44,45);6-7,16,18-21,25-27,39H,1,4-5,8-15,17,22H2,2-3H3,(H,41,42,43);4,6-11,15,19-21,24,28H,5,12-14,16-18,22H2,1-3H3,(H,37,38,39);5-10,12,15-18,28-29,35H,2-4,11,13-14,19-20H2,1H3,(H,37,38,39).

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

6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpiperidin-2-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(3-prop-1-en-2-ylcyclopentyl)-2-pyridinyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2605.08 g/mol, XLogP of 25.03, 29 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpiperidin-2-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(3-prop-1-en-2-ylcyclopentyl)-2-pyridinyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161425236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).