2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide

C136H118F3N33O9S — CID 158774151

IUPAC2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide
SMILESCC(C)(C#Cc1nccn2ncc(-c3ccc4cc(NS(C)(=O)=O)ccc4c3)c12)C(N)=O.CC(C)(O)Cn1ncc2cc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)ccc21.COc1ccc2cc(-c3cnn4ccnc(C#CC(C)(C)C(N)=O)c34)ccc2n1.Cc1ccc2cc(-c3cnn4ccnc(C#CC(C)(C)C(N)=O)c34)ccc2n1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CC(=O)O)c5)c(F)c4)c23)CC1.N#CC1CC=C(c2nccn3ncc(-c4ccc5c(cnn5C(F)F)c4)c23)CC1
InChIInChI=1S/C24H19FN6O2.C24H24N6O.C23H21N5O3S.C22H19N5O2.C22H19N5O.C21H16F2N6/c25-21-9-17(5-6-19(21)18-11-28-30(13-18)14-22(32)33)20-12-29-31-8-7-27-23(24(20)31)16-3-1-15(10-26)2-4-16;1-24(2,31)15-30-21-8-7-18(11-19(21)13-27-30)20-14-28-29-10-9-26-22(23(20)29)17-5-3-16(12-25)4-6-17;1-23(2,22(24)29)9-8-20-21-19(14-26-28(21)11-10-25-20)17-5-4-16-13-18(27-32(3,30)31)7-6-15(16)12-17;1-22(2,21(23)28)9-8-18-20-16(13-25-27(20)11-10-24-18)14-4-6-17-15(12-14)5-7-19(26-17)29-3;1-14-4-5-16-12-15(6-7-18(16)26-14)17-13-25-27-11-10-24-19(20(17)27)8-9-22(2,3)21(23)28;22-21(23)29-18-6-5-15(9-16(18)11-27-29)17-12-26-28-8-7-25-19(20(17)28)14-3-1-13(10-24)2-4-14/h3,5-9,11-13,15H,1-2,4,14H2,(H,32,33);5,7-11,13-14,16,31H,3-4,6,15H2,1-2H3;4-7,10-14,27H,1-3H3,(H2,24,29);4-7,10-13H,1-3H3,(H2,23,28);4-7,10-13H,1-3H3,(H2,23,28);3,5-9,11-13,21H,1-2,4H2
InChIKeyIQGLXTYKGBMKQL-UHFFFAOYSA-N
MW2447.72 g/mol
LogP21.98
Rot. Bonds21

About 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide

2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide (PubChem CID 158774151) has the molecular formula C136H118F3N33O9S and a molecular weight of 2447.72 g/mol. Its IUPAC name is 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide.

Molecular Properties

Compound Name2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide
PubChem CID158774151
Molecular FormulaC136H118F3N33O9S
Molecular Weight2447.72 g/mol
Exact Mass2445.95
IUPAC Name2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide
SMILESCC(C)(C#Cc1nccn2ncc(-c3ccc4cc(NS(C)(=O)=O)ccc4c3)c12)C(N)=O.CC(C)(O)Cn1ncc2cc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)ccc21.COc1ccc2cc(-c3cnn4ccnc(C#CC(C)(C)C(N)=O)c34)ccc2n1.Cc1ccc2cc(-c3cnn4ccnc(C#CC(C)(C)C(N)=O)c34)ccc2n1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CC(=O)O)c5)c(F)c4)c23)CC1.N#CC1CC=C(c2nccn3ncc(-c4ccc5c(cnn5C(F)F)c4)c23)CC1
InChIInChI=1S/C24H19FN6O2.C24H24N6O.C23H21N5O3S.C22H19N5O2.C22H19N5O.C21H16F2N6/c25-21-9-17(5-6-19(21)18-11-28-30(13-18)14-22(32)33)20-12-29-31-8-7-27-23(24(20)31)16-3-1-15(10-26)2-4-16;1-24(2,31)15-30-21-8-7-18(11-19(21)13-27-30)20-14-28-29-10-9-26-22(23(20)29)17-5-3-16(12-25)4-6-17;1-23(2,22(24)29)9-8-20-21-19(14-26-28(21)11-10-25-20)17-5-4-16-13-18(27-32(3,30)31)7-6-15(16)12-17;1-22(2,21(23)28)9-8-18-20-16(13-25-27(20)11-10-24-18)14-4-6-17-15(12-14)5-7-19(26-17)29-3;1-14-4-5-16-12-15(6-7-18(16)26-14)17-13-25-27-11-10-24-19(20(17)27)8-9-22(2,3)21(23)28;22-21(23)29-18-6-5-15(9-16(18)11-27-29)17-12-26-28-8-7-25-19(20(17)28)14-3-1-13(10-24)2-4-14/h3,5-9,11-13,15H,1-2,4,14H2,(H,32,33);5,7-11,13-14,16,31H,3-4,6,15H2,1-2H3;4-7,10-14,27H,1-3H3,(H2,24,29);4-7,10-13H,1-3H3,(H2,23,28);4-7,10-13H,1-3H3,(H2,23,28);3,5-9,11-13,21H,1-2,4H2
InChIKeyIQGLXTYKGBMKQL-UHFFFAOYSA-N
XLogP21.98
TPSA573.95 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds21
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002447.72
LogP ≤ 521.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide with MolForge

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Related Compounds

2,2-Dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;bis(4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile);4-[3-[1-(2,2,2-trifluoroethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
CID 159579700
1-(5-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;8-tert-butyl-2-methoxyquinoline;5-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-1-(1-methylpyrrolidin-3-yl)indazole;8-tert-butyl-1-methylquinoxalin-1-ium;5-tert-butyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-1-pyrrolidin-3-ylindazole;4-[(8-tert-butylquinolin-7-yl)methyl]morpholine;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 158381537
N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile;2-methyl-4-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-(4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(triazol-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carboxylic acid
CID 159807365
5-[5-[6-(Difluoromethyl)-2-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[6-(4-methoxy-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(6-methylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(6-methyl-2-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[6-(5-methyl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(4-pyridin-4-ylindazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-(6-pyridin-4-ylindazol-1-yl)-1,2-thiazol-3-one
CID 159991715
N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-7-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;8-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;8-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;8-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;8-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 160766503

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide?
The IUPAC name of 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide (CID 158774151) is 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide.
What is the SMILES notation for 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide?
The canonical SMILES for 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide is CC(C)(C#Cc1nccn2ncc(-c3ccc4cc(NS(C)(=O)=O)ccc4c3)c12)C(N)=O.CC(C)(O)Cn1ncc2cc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)ccc21.COc1ccc2cc(-c3cnn4ccnc(C#CC(C)(C)C(N)=O)c34)ccc2n1.Cc1ccc2cc(-c3cnn4ccnc(C#CC(C)(C)C(N)=O)c34)ccc2n1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CC(=O)O)c5)c(F)c4)c23)CC1.N#CC1CC=C(c2nccn3ncc(-c4ccc5c(cnn5C(F)F)c4)c23)CC1.
What is the InChIKey of 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide?
The InChIKey is IQGLXTYKGBMKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O2.C24H24N6O.C23H21N5O3S.C22H19N5O2.C22H19N5O.C21H16F2N6/c25-21-9-17(5-6-19(21)18-11-28-30(13-18)14-22(32)33)20-12-29-31-8-7-27-23(24(20)31)16-3-1-15(10-26)2-4-16;1-24(2,31)15-30-21-8-7-18(11-19(21)13-27-30)20-14-28-29-10-9-26-22(23(20)29)17-5-3-16(12-25)4-6-17;1-23(2,22(24)29)9-8-20-21-19(14-26-28(21)11-10-25-20)17-5-4-16-13-18(27-32(3,30)31)7-6-15(16)12-17;1-22(2,21(23)28)9-8-18-20-16(13-25-27(20)11-10-24-18)14-4-6-17-15(12-14)5-7-19(26-17)29-3;1-14-4-5-16-12-15(6-7-18(16)26-14)17-13-25-27-11-10-24-19(20(17)27)8-9-22(2,3)21(23)28;22-21(23)29-18-6-5-15(9-16(18)11-27-29)17-12-26-28-8-7-25-19(20(17)28)14-3-1-13(10-24)2-4-14/h3,5-9,11-13,15H,1-2,4,14H2,(H,32,33);5,7-11,13-14,16,31H,3-4,6,15H2,1-2H3;4-7,10-14,27H,1-3H3,(H2,24,29);4-7,10-13H,1-3H3,(H2,23,28);4-7,10-13H,1-3H3,(H2,23,28);3,5-9,11-13,21H,1-2,4H2.
What are the key properties of 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide?
2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide has a molecular weight of 2447.72 g/mol, XLogP of 21.98, 21 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]pyrazol-1-yl]acetic acid;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;2,2-dimethyl-4-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[6-(methanesulfonamido)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide is sourced from PubChem (CID 158774151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).