6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropyl-4-methylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one

C157H140Cl4F6N32O10S2 — CID 158816488

About 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropyl-4-methylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropyl-4-methylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158816488) has the molecular formula C157H140Cl4F6N32O10S2 and a molecular weight of 2954.99 g/mol. Its IUPAC name is 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropyl-4-methylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropyl-4-methylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158816488
• Molecular Formula: C157H140Cl4F6N32O10S2
• Molecular Weight: 2954.99 g/mol
• Exact Mass: 2950.95
• IUPAC Name: 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropyl-4-methylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN1CCC(c2ccc(Nc3ncc4cc(-c5c(Cl)cc(C6=CCC=N6)cc5Cl)c(=O)n(Cc5nccs5)c4n3)cc2)CC1.CN1CCCC(c2ccc(Nc3ncc4cc(-c5ccc(-c6cnco6)cc5C(F)(F)F)c(=O)n(-c5nccs5)c4n3)cc2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(CCN(C)C)c2=O)c(C2CC2)c1.O=c1c(-c2ccc(-c3ccoc3)cc2Cl)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n1-c1ccccc1.O=c1c(-c2ncc(-c3ccoc3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n1CC(F)(F)F
• InChI: InChI=1S/C33H29Cl2N7OS.C33H26ClN5O3.C32H26F3N7O2S.C31H37N7O.C28H22ClF3N6O3/c1-41-12-8-21(9-13-41)20-4-6-24(7-5-20)39-33-38-18-23-15-25(32(43)42(31(23)40-33)19-29-37-11-14-44-29)30-26(34)16-22(17-27(30)35)28-3-2-10-36-28;34-30-17-21(22-13-15-41-20-22)6-11-28(30)29-16-23-18-36-33(38-31(23)39(32(29)40)25-4-2-1-3-5-25)37-24-7-9-26(10-8-24)42-27-12-14-35-19-27;1-41-11-2-3-21(17-41)19-4-7-23(8-5-19)39-30-38-15-22-13-25(29(43)42(28(22)40-30)31-37-10-12-45-31)24-9-6-20(27-16-36-18-44-27)14-26(24)32(33,34)35;1-20-4-11-26(27(16-20)21-5-6-21)28-17-22-18-33-31(36-29(22)38(30(28)39)15-14-37(2)3)35-24-9-7-23(8-10-24)34-25-12-13-32-19-25;29-22-10-18(17-5-7-40-14-17)11-34-24(22)21-9-19-12-35-27(37-25(19)38(26(21)39)15-28(30,31)32)36-20-3-1-16(2-4-20)23-13-33-6-8-41-23/h3-7,10-11,14-18,21H,2,8-9,12-13,19H2,1H3,(H,38,39,40);1-11,13,15-18,20,27,35H,12,14,19H2,(H,36,37,38);4-10,12-16,18,21H,2-3,11,17H2,1H3,(H,38,39,40);4,7-11,16-18,21,25,32,34H,5-6,12-15,19H2,1-3H3,(H,33,35,36);1-5,7,9-12,14,23,33H,6,8,13,15H2,(H,35,36,37)
• InChIKey: IVIKTWJHJOVHPE-UHFFFAOYSA-N
• XLogP: 32.07
• TPSA: 478.69 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 35
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2954.99
LogP ≤ 5	32.07
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropyl-4-methylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropyl-4-methylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 158816488) is 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropyl-4-methylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropyl-4-methylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropyl-4-methylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one is CN1CCC(c2ccc(Nc3ncc4cc(-c5c(Cl)cc(C6=CCC=N6)cc5Cl)c(=O)n(Cc5nccs5)c4n3)cc2)CC1.CN1CCCC(c2ccc(Nc3ncc4cc(-c5ccc(-c6cnco6)cc5C(F)(F)F)c(=O)n(-c5nccs5)c4n3)cc2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(CCN(C)C)c2=O)c(C2CC2)c1.O=c1c(-c2ccc(-c3ccoc3)cc2Cl)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n1-c1ccccc1.O=c1c(-c2ncc(-c3ccoc3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n1CC(F)(F)F.

What is the InChIKey of 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropyl-4-methylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is IVIKTWJHJOVHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2N7OS.C33H26ClN5O3.C32H26F3N7O2S.C31H37N7O.C28H22ClF3N6O3/c1-41-12-8-21(9-13-41)20-4-6-24(7-5-20)39-33-38-18-23-15-25(32(43)42(31(23)40-33)19-29-37-11-14-44-29)30-26(34)16-22(17-27(30)35)28-3-2-10-36-28;34-30-17-21(22-13-15-41-20-22)6-11-28(30)29-16-23-18-36-33(38-31(23)39(32(29)40)25-4-2-1-3-5-25)37-24-7-9-26(10-8-24)42-27-12-14-35-19-27;1-41-11-2-3-21(17-41)19-4-7-23(8-5-19)39-30-38-15-22-13-25(29(43)42(28(22)40-30)31-37-10-12-45-31)24-9-6-20(27-16-36-18-44-27)14-26(24)32(33,34)35;1-20-4-11-26(27(16-20)21-5-6-21)28-17-22-18-33-31(36-29(22)38(30(28)39)15-14-37(2)3)35-24-9-7-23(8-10-24)34-25-12-13-32-19-25;29-22-10-18(17-5-7-40-14-17)11-34-24(22)21-9-19-12-35-27(37-25(19)38(26(21)39)15-28(30,31)32)36-20-3-1-16(2-4-20)23-13-33-6-8-41-23/h3-7,10-11,14-18,21H,2,8-9,12-13,19H2,1H3,(H,38,39,40);1-11,13,15-18,20,27,35H,12,14,19H2,(H,36,37,38);4-10,12-16,18,21H,2-3,11,17H2,1H3,(H,38,39,40);4,7-11,16-18,21,25,32,34H,5-6,12-15,19H2,1-3H3,(H,33,35,36);1-5,7,9-12,14,23,33H,6,8,13,15H2,(H,35,36,37).

What are the key properties of 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropyl-4-methylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropyl-4-methylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2954.99 g/mol, XLogP of 32.07, 35 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropyl-4-methylphenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158816488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).