5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C118H128F4N36O12 — CID 167709187

IUPAC5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C3CN(C)C3)c3ncccc23)nc2c(C(=O)NC3CCC[C@H]3O)cnn12.CNc1cc(-c2cn([C@@H]3CC3(F)F)c3ncccc23)nc2c(C(=O)N[C@@H]3CCC[C@@H]3O)cnn12.CNc1cc(-c2cn([C@@H]3CC3(F)F)c3ncccc23)nc2c(C(=O)N[C@H]3CCC[C@H]3O)cnn12.CNc1cc(-c2cn([C@@H]3CCOC3)c3ncccc23)nc2c(C(=O)NC3CCC[C@H]3O)cnn12.CNc1cc(-c2cn([C@@H]3CCOC3)c3ncccc23)nc2c(C(=O)N[C@H]3CCC[C@H]3O)cnn12
InChIInChI=1S/C24H28N8O2.2C24H27N7O3.2C23H23F2N7O2/c1-25-21-9-19(17-13-31(14-11-30(2)12-14)22-15(17)5-4-8-26-22)28-23-16(10-27-32(21)23)24(34)29-18-6-3-7-20(18)33;2*1-25-21-10-19(17-12-30(14-7-9-34-13-14)22-15(17)4-3-8-26-22)28-23-16(11-27-31(21)23)24(33)29-18-5-2-6-20(18)32;2*1-26-19-8-16(14-11-31(18-9-23(18,24)25)20-12(14)4-3-7-27-20)29-21-13(10-28-32(19)21)22(34)30-15-5-2-6-17(15)33/h4-5,8-10,13-14,18,20,25,33H,3,6-7,11-12H2,1-2H3,(H,29,34);2*3-4,8,10-12,14,18,20,25,32H,2,5-7,9,13H2,1H3,(H,29,33);2*3-4,7-8,10-11,15,17-18,26,33H,2,5-6,9H2,1H3,(H,30,34)/t18?,20-;14-,18?,20-;14-,18+,20-;15-,17+,18+;15-,17+,18-/m11101/s1
InChIKeyZOHAYSFNLUOKPY-FGVZFKJZSA-N
MW2318.55 g/mol
LogP12.72
Rot. Bonds25

About 5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167709187) has the molecular formula C118H128F4N36O12 and a molecular weight of 2318.55 g/mol. Its IUPAC name is 5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167709187
Molecular FormulaC118H128F4N36O12
Molecular Weight2318.55 g/mol
Exact Mass2317.04
IUPAC Name5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C3CN(C)C3)c3ncccc23)nc2c(C(=O)NC3CCC[C@H]3O)cnn12.CNc1cc(-c2cn([C@@H]3CC3(F)F)c3ncccc23)nc2c(C(=O)N[C@@H]3CCC[C@@H]3O)cnn12.CNc1cc(-c2cn([C@@H]3CC3(F)F)c3ncccc23)nc2c(C(=O)N[C@H]3CCC[C@H]3O)cnn12.CNc1cc(-c2cn([C@@H]3CCOC3)c3ncccc23)nc2c(C(=O)NC3CCC[C@H]3O)cnn12.CNc1cc(-c2cn([C@@H]3CCOC3)c3ncccc23)nc2c(C(=O)N[C@H]3CCC[C@H]3O)cnn12
InChIInChI=1S/C24H28N8O2.2C24H27N7O3.2C23H23F2N7O2/c1-25-21-9-19(17-13-31(14-11-30(2)12-14)22-15(17)5-4-8-26-22)28-23-16(10-27-32(21)23)24(34)29-18-6-3-7-20(18)33;2*1-25-21-10-19(17-12-30(14-7-9-34-13-14)22-15(17)4-3-8-26-22)28-23-16(11-27-31(21)23)24(33)29-18-5-2-6-20(18)32;2*1-26-19-8-16(14-11-31(18-9-23(18,24)25)20-12(14)4-3-7-27-20)29-21-13(10-28-32(19)21)22(34)30-15-5-2-6-17(15)33/h4-5,8-10,13-14,18,20,25,33H,3,6-7,11-12H2,1-2H3,(H,29,34);2*3-4,8,10-12,14,18,20,25,32H,2,5-7,9,13H2,1H3,(H,29,33);2*3-4,7-8,10-11,15,17-18,26,33H,2,5-6,9H2,1H3,(H,30,34)/t18?,20-;14-,18?,20-;14-,18+,20-;15-,17+,18+;15-,17+,18-/m11101/s1
InChIKeyZOHAYSFNLUOKPY-FGVZFKJZSA-N
XLogP12.72
TPSA568.55 Ų
H-Bond Donors15
H-Bond Acceptors43
Rotatable Bonds25
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002318.55
LogP ≤ 512.72
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1043

Analyze 5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157207969
6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157527128
6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158064369
6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158445712
7-[benzyl(methyl)amino]-5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158589366
6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-hydroxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158665724
6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-2-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158808370
(3S,4S)-4-aminooxolan-3-ol;7-[benzyl(methyl)amino]-5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate)
CID 158830371
6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158885401
CID 159185333
CID 159185333
6-cyclopropyl-2-methyl-N-[3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159294282
6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159794332

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167709187) is 5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C3CN(C)C3)c3ncccc23)nc2c(C(=O)NC3CCC[C@H]3O)cnn12.CNc1cc(-c2cn([C@@H]3CC3(F)F)c3ncccc23)nc2c(C(=O)N[C@@H]3CCC[C@@H]3O)cnn12.CNc1cc(-c2cn([C@@H]3CC3(F)F)c3ncccc23)nc2c(C(=O)N[C@H]3CCC[C@H]3O)cnn12.CNc1cc(-c2cn([C@@H]3CCOC3)c3ncccc23)nc2c(C(=O)NC3CCC[C@H]3O)cnn12.CNc1cc(-c2cn([C@@H]3CCOC3)c3ncccc23)nc2c(C(=O)N[C@H]3CCC[C@H]3O)cnn12.
What is the InChIKey of 5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZOHAYSFNLUOKPY-FGVZFKJZSA-N. The full InChI is InChI=1S/C24H28N8O2.2C24H27N7O3.2C23H23F2N7O2/c1-25-21-9-19(17-13-31(14-11-30(2)12-14)22-15(17)5-4-8-26-22)28-23-16(10-27-32(21)23)24(34)29-18-6-3-7-20(18)33;2*1-25-21-10-19(17-12-30(14-7-9-34-13-14)22-15(17)4-3-8-26-22)28-23-16(11-27-31(21)23)24(33)29-18-5-2-6-20(18)32;2*1-26-19-8-16(14-11-31(18-9-23(18,24)25)20-12(14)4-3-7-27-20)29-21-13(10-28-32(19)21)22(34)30-15-5-2-6-17(15)33/h4-5,8-10,13-14,18,20,25,33H,3,6-7,11-12H2,1-2H3,(H,29,34);2*3-4,8,10-12,14,18,20,25,32H,2,5-7,9,13H2,1H3,(H,29,33);2*3-4,7-8,10-11,15,17-18,26,33H,2,5-6,9H2,1H3,(H,30,34)/t18?,20-;14-,18?,20-;14-,18+,20-;15-,17+,18+;15-,17+,18-/m11101/s1.
What are the key properties of 5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2318.55 g/mol, XLogP of 12.72, 25 rotatable bonds, 15 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-(1-methylazetidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclopentyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167709187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).