About potassium;tert-butyl (3S)-4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride
potassium;tert-butyl (3S)-4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride (PubChem CID 159496538) has the molecular formula C163H176BCl15F6KN27O20
and a molecular weight of 3529.06 g/mol. Its IUPAC name is potassium;tert-butyl (3S)-4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride.
Frequently Asked Questions
What is the IUPAC name of potassium;tert-butyl (3S)-4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride?
The IUPAC name of potassium;tert-butyl (3S)-4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride (CID 159496538) is potassium;tert-butyl (3S)-4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride.
What is the SMILES notation for potassium;tert-butyl (3S)-4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride?
The canonical SMILES for potassium;tert-butyl (3S)-4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride is C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cccc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.Cc1cccc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.Cc1cccc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(Cl)c(-c3c(O)cccc3F)nc21.Cc1cccc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(Cl)c(Cl)nc21.Cc1cccc(C(C)C)c1N.Cc1cccc(C(C)C)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl.NC(=O)c1cc(Cl)c(Cl)nc1Cl.O=C(O)c1cc(Cl)c(Cl)nc1Cl.Oc1cccc(F)c1B(F)F.[F-].[K+].
What is the InChIKey of potassium;tert-butyl (3S)-4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride?
The InChIKey is SWJJUSUQTGQKNY-LOBAOTOSSA-M. The full InChI is InChI=1S/C33H37ClFN5O4.C31H31ClFN5O3.C27H33Cl2N5O3.C17H16Cl3N3O2.C17H15Cl2N3O2.C10H20N2O2.C10H15N.C6H4BF3O.C6H3Cl3N2O.C6H2Cl3NO2.FH.K/c1-18(2)21-11-8-10-19(3)28(21)40-30-22(16-23(34)27(36-30)26-24(35)12-9-13-25(26)41)29(37-31(40)42)39-15-14-38(17-20(39)4)32(43)44-33(5,6)7;1-6-25(40)36-13-14-37(19(5)16-36)29-21-15-22(32)27(26-23(33)11-8-12-24(26)39)34-30(21)38(31(41)35-29)28-18(4)9-7-10-20(28)17(2)3;1-15(2)18-10-8-9-16(3)21(18)34-24-19(13-20(28)22(29)30-24)23(31-25(34)35)33-12-11-32(14-17(33)4)26(36)37-27(5,6)7;1-8(2)10-6-4-5-9(3)13(10)21-17(25)23-16(24)11-7-12(18)15(20)22-14(11)19;1-8(2)10-6-4-5-9(3)13(10)22-15-11(16(23)21-17(22)24)7-12(18)14(19)20-15;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-7(2)9-6-4-5-8(3)10(9)11;8-4-2-1-3-5(11)6(4)7(9)10;7-3-1-2(6(10)12)4(8)11-5(3)9;7-3-1-2(6(11)12)4(8)10-5(3)9;;/h8-13,16,18,20,41H,14-15,17H2,1-7H3;6-12,15,17,19,39H,1,13-14,16H2,2-5H3;8-10,13,15,17H,11-12,14H2,1-7H3;4-8H,1-3H3,(H2,21,23,24,25);4-8H,1-3H3,(H,21,23,24);8,11H,5-7H2,1-4H3;4-7H,11H2,1-3H3;1-3,11H;1H,(H2,10,12);1H,(H,11,12);1H;/q;;;;;;;;;;;+1/p-1/t20-;19-;17-;;;8-;;;;;;/m000..0....../s1.
What are the key properties of potassium;tert-butyl (3S)-4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride?
potassium;tert-butyl (3S)-4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride has a molecular weight of 3529.06 g/mol, XLogP of 31.61, 21 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;tert-butyl (3S)-4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride is sourced from PubChem (CID 159496538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).