About 6-[2-chloro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)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-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(difluoromethyl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-3-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrofluoride
6-[2-chloro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)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-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(difluoromethyl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-3-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrofluoride (PubChem CID 161248250) has the molecular formula C171H185Cl4F6N35O5S2
and a molecular weight of 3130.53 g/mol. Its IUPAC name is 6-[2-chloro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)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-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(difluoromethyl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-3-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrofluoride.
Frequently Asked Questions
What is the IUPAC name of 6-[2-chloro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)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-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(difluoromethyl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-3-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrofluoride?
The IUPAC name of 6-[2-chloro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)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-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(difluoromethyl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-3-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrofluoride (CID 161248250) is 6-[2-chloro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)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-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(difluoromethyl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-3-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrofluoride.
What is the SMILES notation for 6-[2-chloro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)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-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(difluoromethyl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-3-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrofluoride?
The canonical SMILES for 6-[2-chloro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)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-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(difluoromethyl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-3-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrofluoride is C=C(C)N1CCC(c2ccc(-c3cc4cnc(Nc5ccc(N6CCNCC6)cc5)nc4n(-c4nccs4)c3=O)c(C(F)F)c2)C1.C=C(C)N1CCCC1c1cc(Cl)c(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(Cc3cccs3)c2=O)c(Cl)c1.CN1CCC(c2ccc(-c3cc4cnc(Nc5ccc(C6CCN(C)C6)cc5)nc4n(-c4ccccc4)c3=O)c(Cl)c2)CC1.CN1CCCCC1c1cnc(-c2cc3cnc(Nc4ccc(C5CCCNC5)cc4)nc3n(CC(F)(F)F)c2=O)c(Cl)c1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(CCN(C)C)c2=O)c(C2CCCN(C)C2)c1.F.
What is the InChIKey of 6-[2-chloro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)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-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(difluoromethyl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-3-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrofluoride?
The InChIKey is VAXQPHZKNPVKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37ClN6O.C35H35Cl2N7OS.C35H45N7O.C34H34F2N8OS.C31H33ClF3N7O.FH/c1-41-17-14-25(15-18-41)26-10-13-31(33(37)21-26)32-20-28-22-38-36(40-34(28)43(35(32)44)30-6-4-3-5-7-30)39-29-11-8-24(9-12-29)27-16-19-42(2)23-27;1-21(2)43-13-3-6-31(43)22-16-29(36)32(30(37)17-22)28-15-23-18-39-35(42-33(23)44(34(28)45)20-27-5-4-14-46-27)41-25-9-7-24(8-10-25)40-26-11-12-38-19-26;1-24-7-12-30(31(20-24)27-6-5-17-41(4)23-27)32-21-28-22-37-35(39-33(28)42(34(32)43)19-18-40(2)3)38-29-10-8-25(9-11-29)26-13-15-36-16-14-26;1-21(2)43-13-9-23(20-43)22-3-8-27(28(17-22)30(35)36)29-18-24-19-39-33(41-31(24)44(32(29)45)34-38-12-16-46-34)40-25-4-6-26(7-5-25)42-14-10-37-11-15-42;1-41-12-3-2-6-26(41)21-14-25(32)27(37-16-21)24-13-22-17-38-30(40-28(22)42(29(24)43)18-31(33,34)35)39-23-9-7-19(8-10-23)20-5-4-11-36-15-20;/h3-13,20-22,25,27H,14-19,23H2,1-2H3,(H,38,39,40);4-5,7-10,14-18,26,31,38,40H,1,3,6,11-13,19-20H2,2H3,(H,39,41,42);7-12,20-22,26-27,36H,5-6,13-19,23H2,1-4H3,(H,37,38,39);3-8,12,16-19,23,30,37H,1,9-11,13-15,20H2,2H3,(H,39,40,41);7-10,13-14,16-17,20,26,36H,2-6,11-12,15,18H2,1H3,(H,38,39,40);1H.
What are the key properties of 6-[2-chloro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)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-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(difluoromethyl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-3-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrofluoride?
6-[2-chloro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)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-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(difluoromethyl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-3-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrofluoride has a molecular weight of 3130.53 g/mol, XLogP of 33.39, 37 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)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-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(difluoromethyl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-3-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrofluoride is sourced from PubChem (CID 161248250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).