6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one

C147H179Cl2N29O10S — CID 160723095

About 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one

6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160723095) has the molecular formula C147H179Cl2N29O10S and a molecular weight of 2615.21 g/mol. Its IUPAC name is 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160723095
• Molecular Formula: C147H179Cl2N29O10S
• Molecular Weight: 2615.21 g/mol
• Exact Mass: 2612.35
• IUPAC Name: 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C.C.C.C=C(C)C1CCCCC1c1ccc(-c2cc3cnc(Nc4ccc(C5CCCN(C)C5)cc4)nc3n(CCN3CCOCC3)c2=O)cc1.C=C(C)N1CCC(n2ccnc2-c2cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc3n(CC3CCOCC3)c2=O)CC1.C=C(C)N1CCCC1c1cc(Cl)c(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(Cc3nccs3)c2=O)c(Cl)c1.CC(=O)N1CCCC(c2ccccc2-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)C1
• InChI: InChI=1S/C40H50N6O2.C36H41N7O4.C34H34Cl2N8OS.C34H42N8O3.3CH4/c1-28(2)35-8-4-5-9-36(35)30-10-12-31(13-11-30)37-25-33-26-41-40(42-34-16-14-29(15-17-34)32-7-6-18-44(3)27-32)43-38(33)46(39(37)47)20-19-45-21-23-48-24-22-45;1-24(44)42-17-6-7-26(22-42)29-8-2-3-9-30(29)31-19-27-20-38-36(39-28-12-10-25(11-13-28)32-21-37-14-18-47-32)40-34(27)43(35(31)46)23-33(45)41-15-4-5-16-41;1-20(2)43-12-3-4-29(43)21-15-27(35)31(28(36)16-21)26-14-22-17-39-34(42-32(22)44(33(26)45)19-30-38-11-13-46-30)41-24-7-5-23(6-8-24)40-25-9-10-37-18-25;1-23(2)40-14-8-27(9-15-40)41-16-13-36-32(41)30-19-25-20-37-34(38-26-3-5-28(6-4-26)45-29-7-12-35-21-29)39-31(25)42(33(30)43)22-24-10-17-44-18-11-24;;;/h10-17,25-26,32,35-36H,1,4-9,18-24,27H2,2-3H3,(H,41,42,43);2-3,8-13,19-20,26,32,37H,4-7,14-18,21-23H2,1H3,(H,38,39,40);5-8,11,13-17,25,29,37,40H,1,3-4,9-10,12,18-19H2,2H3,(H,39,41,42);3-6,13,16,19-20,24,27,29,35H,1,7-12,14-15,17-18,21-22H2,2H3,(H,37,38,39);3*1H4
• InChIKey: RTIXHGRXUYPPNQ-UHFFFAOYSA-N
• XLogP: 25.51
• TPSA: 408.57 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 34
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2615.21
LogP ≤ 5	25.51
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one (CID 160723095) is 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one is C.C.C.C=C(C)C1CCCCC1c1ccc(-c2cc3cnc(Nc4ccc(C5CCCN(C)C5)cc4)nc3n(CCN3CCOCC3)c2=O)cc1.C=C(C)N1CCC(n2ccnc2-c2cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc3n(CC3CCOCC3)c2=O)CC1.C=C(C)N1CCCC1c1cc(Cl)c(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(Cc3nccs3)c2=O)c(Cl)c1.CC(=O)N1CCCC(c2ccccc2-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)C1.

What is the InChIKey of 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is RTIXHGRXUYPPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H50N6O2.C36H41N7O4.C34H34Cl2N8OS.C34H42N8O3.3CH4/c1-28(2)35-8-4-5-9-36(35)30-10-12-31(13-11-30)37-25-33-26-41-40(42-34-16-14-29(15-17-34)32-7-6-18-44(3)27-32)43-38(33)46(39(37)47)20-19-45-21-23-48-24-22-45;1-24(44)42-17-6-7-26(22-42)29-8-2-3-9-30(29)31-19-27-20-38-36(39-28-12-10-25(11-13-28)32-21-37-14-18-47-32)40-34(27)43(35(31)46)23-33(45)41-15-4-5-16-41;1-20(2)43-12-3-4-29(43)21-15-27(35)31(28(36)16-21)26-14-22-17-39-34(42-32(22)44(33(26)45)19-30-38-11-13-46-30)41-24-7-5-23(6-8-24)40-25-9-10-37-18-25;1-23(2)40-14-8-27(9-15-40)41-16-13-36-32(41)30-19-25-20-37-34(38-26-3-5-28(6-4-26)45-29-7-12-35-21-29)39-31(25)42(33(30)43)22-24-10-17-44-18-11-24;;;/h10-17,25-26,32,35-36H,1,4-9,18-24,27H2,2-3H3,(H,41,42,43);2-3,8-13,19-20,26,32,37H,4-7,14-18,21-23H2,1H3,(H,38,39,40);5-8,11,13-17,25,29,37,40H,1,3-4,9-10,12,18-19H2,2H3,(H,39,41,42);3-6,13,16,19-20,24,27,29,35H,1,7-12,14-15,17-18,21-22H2,2H3,(H,37,38,39);3*1H4.

What are the key properties of 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2615.21 g/mol, XLogP of 25.51, 34 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160723095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).