About 3-amino-1-(1-cyclopropylpyrazol-3-yl)pyridin-2-one;1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-[5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-fluorocyclopropan-1-amine;1-(1-cyclopropylpyrazol-3-yl)-3-[[3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one;5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
3-amino-1-(1-cyclopropylpyrazol-3-yl)pyridin-2-one;1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-[5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-fluorocyclopropan-1-amine;1-(1-cyclopropylpyrazol-3-yl)-3-[[3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one;5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 160839855) has the molecular formula C131H143ClF3N41O18
and a molecular weight of 2672.30 g/mol. Its IUPAC name is 3-amino-1-(1-cyclopropylpyrazol-3-yl)pyridin-2-one;1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-[5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-fluorocyclopropan-1-amine;1-(1-cyclopropylpyrazol-3-yl)-3-[[3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one;5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
Frequently Asked Questions
What is the IUPAC name of 3-amino-1-(1-cyclopropylpyrazol-3-yl)pyridin-2-one;1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-[5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-fluorocyclopropan-1-amine;1-(1-cyclopropylpyrazol-3-yl)-3-[[3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one;5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of 3-amino-1-(1-cyclopropylpyrazol-3-yl)pyridin-2-one;1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-[5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-fluorocyclopropan-1-amine;1-(1-cyclopropylpyrazol-3-yl)-3-[[3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one;5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 160839855) is 3-amino-1-(1-cyclopropylpyrazol-3-yl)pyridin-2-one;1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-[5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-fluorocyclopropan-1-amine;1-(1-cyclopropylpyrazol-3-yl)-3-[[3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one;5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for 3-amino-1-(1-cyclopropylpyrazol-3-yl)pyridin-2-one;1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-[5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-fluorocyclopropan-1-amine;1-(1-cyclopropylpyrazol-3-yl)-3-[[3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one;5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for 3-amino-1-(1-cyclopropylpyrazol-3-yl)pyridin-2-one;1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-[5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-fluorocyclopropan-1-amine;1-(1-cyclopropylpyrazol-3-yl)-3-[[3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one;5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(Cl)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ccn(C5CC5)n4)c3=O)nc12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ccn(C4CC4)n3)c2=O)nc2c(C(=O)C[C@@H]3C[C@@H]3F)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ccn(C4CC4)n3)c2=O)nc2c(C(=O)O)cnn12.CNc1cc(Nc2cccn(-c3ccn(C4CC4)n3)c2=O)nc2c(C(=O)C[C@@H]3C[C@@H]3F)cnn12.N[C@@H]1C[C@@H]1F.Nc1cccn(-c2ccn(C3CC3)n2)c1=O.
What is the InChIKey of 3-amino-1-(1-cyclopropylpyrazol-3-yl)pyridin-2-one;1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-[5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-fluorocyclopropan-1-amine;1-(1-cyclopropylpyrazol-3-yl)-3-[[3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one;5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is SHWQSZDBCKFZEI-XMKWZVCYSA-N. The full InChI is InChI=1S/C28H31FN8O4.C26H30N8O5.C24H26N8O5.C23H23FN8O2.C16H15ClN4O.C11H12N4O.C3H6FN/c1-28(2,3)41-27(40)34(4)24-14-22(32-25-18(15-30-37(24)25)21(38)13-16-12-19(16)29)31-20-6-5-10-35(26(20)39)23-9-11-36(33-23)17-7-8-17;1-6-38-24(36)17-15-27-34-21(31(5)25(37)39-26(2,3)4)14-19(29-22(17)34)28-18-8-7-12-32(23(18)35)20-11-13-33(30-20)16-9-10-16;1-24(2,3)37-23(36)29(4)19-12-17(27-20-15(22(34)35)13-25-32(19)20)26-16-6-5-10-30(21(16)33)18-9-11-31(28-18)14-7-8-14;1-25-21-11-19(28-22-15(12-26-32(21)22)18(33)10-13-9-16(13)24)27-17-3-2-7-30(23(17)34)20-6-8-31(29-20)14-4-5-14;1-11(22)13-9-18-21-15(8-14(17)19-16(13)21)20(2)10-12-6-4-3-5-7-12;12-9-2-1-6-14(11(9)16)10-5-7-15(13-10)8-3-4-8;4-2-1-3(2)5/h5-6,9-11,14-17,19H,7-8,12-13H2,1-4H3,(H,31,32);7-8,11-16H,6,9-10H2,1-5H3,(H,28,29);5-6,9-14H,7-8H2,1-4H3,(H,26,27)(H,34,35);2-3,6-8,11-14,16,25H,4-5,9-10H2,1H3,(H,27,28);3-9H,10H2,1-2H3;1-2,5-8H,3-4,12H2;2-3H,1,5H2/t16-,19-;;;13-,16-;;;2-,3+/m0..0..0/s1.
What are the key properties of 3-amino-1-(1-cyclopropylpyrazol-3-yl)pyridin-2-one;1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-[5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-fluorocyclopropan-1-amine;1-(1-cyclopropylpyrazol-3-yl)-3-[[3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one;5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
3-amino-1-(1-cyclopropylpyrazol-3-yl)pyridin-2-one;1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-[5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-fluorocyclopropan-1-amine;1-(1-cyclopropylpyrazol-3-yl)-3-[[3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one;5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 2672.30 g/mol, XLogP of 18.74, 35 rotatable bonds, 8 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-cyclopropylpyrazol-3-yl)pyridin-2-one;1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-[5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-fluorocyclopropan-1-amine;1-(1-cyclopropylpyrazol-3-yl)-3-[[3-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one;5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 160839855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).