5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide

C92H72ClF9N26O4 — CID 157138420

IUPAC5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)nc1.Cc1nccnc1C(=O)Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12.O=C(Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12)c1ccc(Cl)cn1.O=C(Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12)c1ncc(F)cn1
InChIInChI=1S/C24H20F2N6O.C23H17ClF2N6O.C23H19F2N7O.C22H16F3N7O/c1-14-2-5-19(27-12-14)23(33)29-20-13-28-32-9-7-21(30-22(20)32)31-8-6-15-11-24(15,31)17-10-16(25)3-4-18(17)26;24-14-1-4-18(27-11-14)22(33)29-19-12-28-32-8-6-20(30-21(19)32)31-7-5-13-10-23(13,31)16-9-15(25)2-3-17(16)26;1-13-20(27-7-6-26-13)22(33)29-18-12-28-32-9-5-19(30-21(18)32)31-8-4-14-11-23(14,31)16-10-15(24)2-3-17(16)25;23-13-1-2-16(25)15(7-13)22-8-12(22)3-5-31(22)18-4-6-32-20(30-18)17(11-28-32)29-21(33)19-26-9-14(24)10-27-19/h2-5,7,9-10,12-13,15H,6,8,11H2,1H3,(H,29,33);1-4,6,8-9,11-13H,5,7,10H2,(H,29,33);2-3,5-7,9-10,12,14H,4,8,11H2,1H3,(H,29,33);1-2,4,6-7,9-12H,3,5,8H2,(H,29,33)/t15-,24+;13-,23+;14-,23+;12-,22+/m0000/s1
InChIKeyAJXCTIRYAFBYAH-DAACXYACSA-N
MW1812.20 g/mol
LogP15.32
Rot. Bonds16

About 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide

5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide (PubChem CID 157138420) has the molecular formula C92H72ClF9N26O4 and a molecular weight of 1812.20 g/mol. Its IUPAC name is 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide
PubChem CID157138420
Molecular FormulaC92H72ClF9N26O4
Molecular Weight1812.20 g/mol
Exact Mass1810.58
IUPAC Name5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)nc1.Cc1nccnc1C(=O)Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12.O=C(Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12)c1ccc(Cl)cn1.O=C(Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12)c1ncc(F)cn1
InChIInChI=1S/C24H20F2N6O.C23H17ClF2N6O.C23H19F2N7O.C22H16F3N7O/c1-14-2-5-19(27-12-14)23(33)29-20-13-28-32-9-7-21(30-22(20)32)31-8-6-15-11-24(15,31)17-10-16(25)3-4-18(17)26;24-14-1-4-18(27-11-14)22(33)29-19-12-28-32-8-6-20(30-21(19)32)31-7-5-13-10-23(13,31)16-9-15(25)2-3-17(16)26;1-13-20(27-7-6-26-13)22(33)29-18-12-28-32-9-5-19(30-21(18)32)31-8-4-14-11-23(14,31)16-10-15(24)2-3-17(16)25;23-13-1-2-16(25)15(7-13)22-8-12(22)3-5-31(22)18-4-6-32-20(30-18)17(11-28-32)29-21(33)19-26-9-14(24)10-27-19/h2-5,7,9-10,12-13,15H,6,8,11H2,1H3,(H,29,33);1-4,6,8-9,11-13H,5,7,10H2,(H,29,33);2-3,5-7,9-10,12,14H,4,8,11H2,1H3,(H,29,33);1-2,4,6-7,9-12H,3,5,8H2,(H,29,33)/t15-,24+;13-,23+;14-,23+;12-,22+/m0000/s1
InChIKeyAJXCTIRYAFBYAH-DAACXYACSA-N
XLogP15.32
TPSA327.46 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001812.20
LogP ≤ 515.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257
2-[[4-[3-[2-[[6-[3-[2-[(4-Amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl]-2-methylanilino]purin-9-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl]-4-fluoroanilino]-3-cyclopropylpyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 132146131
5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
CID 139496344
5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)-2-ethylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
CID 139496386
6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
CID 144734781
2-(2,6-difluorophenyl)-N-[(3S)-9-fluoro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 156095640
(1R,3S,5R)-2-(2-(3-acetyl-7-methyl-5-(2-methylpyr-azolo[1,5-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-c]pyr-idin-1-yl)acetyl)-N-(3-chloro-6-(trifluoromethyl)-pyridin-2-yl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 156837350
N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-(ethylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide
CID 157094518
CID 157103917
CID 157103917
1-[(1S,2S,5R)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-azabicyclo[3.1.0]hexan-2-yl]-2-(6-methyl-2-pyridinyl)ethanone;3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157131043
[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-imidazole-4-carbonyl)piperazin-1-yl]methanone;3,3,3-trifluoro-1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 157134662
5-(5-chloro-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;(5S)-5-methyl-2-[2-methyl-8-(3,3,4,4,4-pentafluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;(5S)-5-methyl-5-(4-methylphenyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
CID 157151918

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide (CID 157138420) is 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide is Cc1ccc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)nc1.Cc1nccnc1C(=O)Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12.O=C(Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12)c1ccc(Cl)cn1.O=C(Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12)c1ncc(F)cn1.
What is the InChIKey of 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide?
The InChIKey is AJXCTIRYAFBYAH-DAACXYACSA-N. The full InChI is InChI=1S/C24H20F2N6O.C23H17ClF2N6O.C23H19F2N7O.C22H16F3N7O/c1-14-2-5-19(27-12-14)23(33)29-20-13-28-32-9-7-21(30-22(20)32)31-8-6-15-11-24(15,31)17-10-16(25)3-4-18(17)26;24-14-1-4-18(27-11-14)22(33)29-19-12-28-32-8-6-20(30-21(19)32)31-7-5-13-10-23(13,31)16-9-15(25)2-3-17(16)26;1-13-20(27-7-6-26-13)22(33)29-18-12-28-32-9-5-19(30-21(18)32)31-8-4-14-11-23(14,31)16-10-15(24)2-3-17(16)25;23-13-1-2-16(25)15(7-13)22-8-12(22)3-5-31(22)18-4-6-32-20(30-18)17(11-28-32)29-21(33)19-26-9-14(24)10-27-19/h2-5,7,9-10,12-13,15H,6,8,11H2,1H3,(H,29,33);1-4,6,8-9,11-13H,5,7,10H2,(H,29,33);2-3,5-7,9-10,12,14H,4,8,11H2,1H3,(H,29,33);1-2,4,6-7,9-12H,3,5,8H2,(H,29,33)/t15-,24+;13-,23+;14-,23+;12-,22+/m0000/s1.
What are the key properties of 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide?
5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide has a molecular weight of 1812.20 g/mol, XLogP of 15.32, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 157138420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).