About tert-butyl N-[3-[[(1S,2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2R)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
tert-butyl N-[3-[[(1S,2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2R)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158456119) has the molecular formula C130H179N35O21
and a molecular weight of 2568.09 g/mol. Its IUPAC name is tert-butyl N-[3-[[(1S,2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2R)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
Frequently Asked Questions
What is the IUPAC name of tert-butyl N-[3-[[(1S,2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2R)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of tert-butyl N-[3-[[(1S,2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2R)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158456119) is tert-butyl N-[3-[[(1S,2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2R)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for tert-butyl N-[3-[[(1S,2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2R)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for tert-butyl N-[3-[[(1S,2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2R)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)n1cccc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)NC4CCCC[C@]4(C)O)c3n2)c1=O.CC(C)n1cccc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)N[C@@H]4CCCC[C@@]4(C)O)c3n2)c1=O.CC(C)n1cccc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)N[C@H]4CCCC[C@]4(C)O)c3n2)c1=O.CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C(=O)N[C@@H]3CCCC[C@@]3(C)O)cnn12.CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C(=O)N[C@H]3CCCC[C@]3(C)O)cnn12.
What is the InChIKey of tert-butyl N-[3-[[(1S,2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2R)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HEOZILMSNKJNBQ-ZJRBYPBCSA-N. The full InChI is InChI=1S/3C28H39N7O5.2C23H31N7O3/c3*1-17(2)34-14-10-11-19(25(34)37)30-21-15-22(33(7)26(38)40-27(3,4)5)35-23(32-21)18(16-29-35)24(36)31-20-12-8-9-13-28(20,6)39;2*1-14(2)29-11-7-8-16(22(29)32)26-18-12-19(24-4)30-20(28-18)15(13-25-30)21(31)27-17-9-5-6-10-23(17,3)33/h3*10-11,14-17,20,39H,8-9,12-13H2,1-7H3,(H,30,32)(H,31,36);2*7-8,11-14,17,24,33H,5-6,9-10H2,1-4H3,(H,26,28)(H,27,31)/t20?,28-;2*20-,28-;2*17-,23-/m01010/s1.
What are the key properties of tert-butyl N-[3-[[(1S,2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2R)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
tert-butyl N-[3-[[(1S,2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2R)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2568.09 g/mol, XLogP of 17.39, 30 rotatable bonds, 17 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(1S,2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2R)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(2S)-2-hydroxy-2-methylcyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158456119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).