4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile

C108H108F2N28O — CID 161070669

IUPAC4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(CC6(C#N)CC6)c5)c(F)c4)c23)CC1.N#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(CCN6CCCC6)c5)cc4)c23)CC1.N#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(CCN6CCOCC6)c5)cc4)c23)CC1.N#CCCn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2F)cn1
InChIInChI=1S/C28H31N7O.C28H31N7.C27H24FN7.C25H22FN7/c29-17-21-1-3-24(4-2-21)27-28-26(19-32-35(28)10-9-30-27)23-7-5-22(6-8-23)25-18-31-34(20-25)12-11-33-13-15-36-16-14-33;29-17-21-3-5-24(6-4-21)27-28-26(19-32-35(28)14-11-30-27)23-9-7-22(8-10-23)25-18-31-34(20-25)16-15-33-12-1-2-13-33;28-24-11-20(5-6-22(24)21-13-32-34(15-21)17-27(16-30)7-8-27)23-14-33-35-10-9-31-25(26(23)35)19-3-1-18(12-29)2-4-19;26-23-12-19(6-7-21(23)20-14-30-32(16-20)10-1-8-27)22-15-31-33-11-9-29-24(25(22)33)18-4-2-17(13-28)3-5-18/h5-10,18-21,24H,1-4,11-16H2;7-11,14,18-21,24H,1-6,12-13,15-16H2;5-6,9-11,13-15,18-19H,1-4,7-8,17H2;6-7,9,11-12,14-18H,1-5,10H2
InChIKeyUEPMMFRUERSCNW-UHFFFAOYSA-N
MW1852.24 g/mol
LogP20.15
Rot. Bonds22

About 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile

4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile (PubChem CID 161070669) has the molecular formula C108H108F2N28O and a molecular weight of 1852.24 g/mol. Its IUPAC name is 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
PubChem CID161070669
Molecular FormulaC108H108F2N28O
Molecular Weight1852.24 g/mol
Exact Mass1850.92
IUPAC Name4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(CC6(C#N)CC6)c5)c(F)c4)c23)CC1.N#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(CCN6CCCC6)c5)cc4)c23)CC1.N#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(CCN6CCOCC6)c5)cc4)c23)CC1.N#CCCn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2F)cn1
InChIInChI=1S/C28H31N7O.C28H31N7.C27H24FN7.C25H22FN7/c29-17-21-1-3-24(4-2-21)27-28-26(19-32-35(28)10-9-30-27)23-7-5-22(6-8-23)25-18-31-34(20-25)12-11-33-13-15-36-16-14-33;29-17-21-3-5-24(6-4-21)27-28-26(19-32-35(28)14-11-30-27)23-9-7-22(8-10-23)25-18-31-34(20-25)16-15-33-12-1-2-13-33;28-24-11-20(5-6-22(24)21-13-32-34(15-21)17-27(16-30)7-8-27)23-14-33-35-10-9-31-25(26(23)35)19-3-1-18(12-29)2-4-19;26-23-12-19(6-7-21(23)20-14-30-32(16-20)10-1-8-27)22-15-31-33-11-9-29-24(25(22)33)18-4-2-17(13-28)3-5-18/h5-10,18-21,24H,1-4,11-16H2;7-11,14,18-21,24H,1-6,12-13,15-16H2;5-6,9-11,13-15,18-19H,1-4,7-8,17H2;6-7,9,11-12,14-18H,1-5,10H2
InChIKeyUEPMMFRUERSCNW-UHFFFAOYSA-N
XLogP20.15
TPSA350.49 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001852.24
LogP ≤ 520.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile with MolForge

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Related Compounds

Carbanide;bis(2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-methyl-5-phenylpyridine);2-(4-isocyano-3-methylpyrazol-1-id-5-yl)-4-(2-methylpropyl)-5-phenylpyridine;bis(5-(4-methyl-5-phenyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile);5-[4-(2-methylpropyl)-5-phenyl-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-ide-4-carbonitrile;tris(osmium(4+))
CID 158305972
1-Cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-cyclopropyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(difluoromethyl)-5-(4-propan-2-yl-2-pyridinyl)indazole;2-(difluoromethyl)-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2-ethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole
CID 160443352
4-[2-[6,8-Difluoro-7-methyl-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;6-fluoro-9-[2-(3-methoxy-4-methylpyrrolidin-1-yl)ethyl]-7-methyl-1-(trifluoromethyl)pyrido[3,4-b]indole;6-fluoro-7-methyl-9-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(trifluoromethyl)pyrido[3,4-b]indole;4-[2-[6-fluoro-7-methyl-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;4-[2-[8-fluoro-7-methyl-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine
CID 160484721
N-[[9-(cyclopropylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;bis(N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine)
CID 160645701
1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)morpholine
CID 161571245
4-[3-[4-[1-(2-Morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
CID 135249496
N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]pyrrolidin-3-yl]methanamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-morpholin-4-ylphthalazin-1-yl)piperidin-4-amine;1-[3-[3-(4-fluoro-2-methylphenyl)propyl]pyrrolidin-1-yl]-4-(2-methylpyrazol-3-yl)phthalazine;3-[[methyl-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile
CID 157360337
4-[(1R,5S)-6-[1-propan-2-yl-3-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]morpholine;bis(4-[(1R,5S)-6-[1-propan-2-yl-3-[1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]morpholine)
CID 157574993
Tris(4-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1-carbonitrile);4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohexane-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile
CID 157764568
3-[5-(4-Carbazol-9-ylphenyl)-2-pyridinyl]pyrazolo[1,5-a]quinoline;3-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]quinoline;3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline;3-(3,6-difluorocarbazol-9-yl)pyrazolo[1,5-a]quinoline
CID 157867405
4-[3-[4-[1-[(1-Cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
CID 158051365
1-(1-Methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,5-b]pyridine;2-methyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-3-propan-2-ylpyrazolo[4,3-c]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;2-methyl-3-propan-2-ylpyrazolo[4,3-c]pyridine;2-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;2-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[3,4-c]pyridine;2-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[3,4-c]pyridine;1-(oxetan-3-yl)-5-(4-propan-2-yl-2-pyridinyl)indazole;2-(oxetan-3-yl)-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-propylindazole
CID 158759109

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile (CID 161070669) is 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile is N#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(CC6(C#N)CC6)c5)c(F)c4)c23)CC1.N#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(CCN6CCCC6)c5)cc4)c23)CC1.N#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(CCN6CCOCC6)c5)cc4)c23)CC1.N#CCCn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2F)cn1.
What is the InChIKey of 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?
The InChIKey is UEPMMFRUERSCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O.C28H31N7.C27H24FN7.C25H22FN7/c29-17-21-1-3-24(4-2-21)27-28-26(19-32-35(28)10-9-30-27)23-7-5-22(6-8-23)25-18-31-34(20-25)12-11-33-13-15-36-16-14-33;29-17-21-3-5-24(6-4-21)27-28-26(19-32-35(28)14-11-30-27)23-9-7-22(8-10-23)25-18-31-34(20-25)16-15-33-12-1-2-13-33;28-24-11-20(5-6-22(24)21-13-32-34(15-21)17-27(16-30)7-8-27)23-14-33-35-10-9-31-25(26(23)35)19-3-1-18(12-29)2-4-19;26-23-12-19(6-7-21(23)20-14-30-32(16-20)10-1-8-27)22-15-31-33-11-9-29-24(25(22)33)18-4-2-17(13-28)3-5-18/h5-10,18-21,24H,1-4,11-16H2;7-11,14,18-21,24H,1-6,12-13,15-16H2;5-6,9-11,13-15,18-19H,1-4,7-8,17H2;6-7,9,11-12,14-18H,1-5,10H2.
What are the key properties of 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?
4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile has a molecular weight of 1852.24 g/mol, XLogP of 20.15, 22 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 161070669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).