5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile

C131H112F10N28O12 — CID 160638632

IUPAC5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile
SMILESCc1cc(C#N)ccc1OCC12CC(C(=O)N3N=CCC3c3cc(F)cc(F)c3)(C1)C2.Cc1cc(F)c([C@@H]2CC=NN2C(=O)C23CC(COc4cnc(C#N)cn4)(C2)C3)cc1F.Cc1ccc(C2CC=NN2C(=O)C23CC(COc4cnc(C#N)cn4)(C2)C3)cc1.N#Cc1cnc(OCC23CC(C(=O)N4N=CCC4c4cc(F)cc(F)c4)(C2)C3)cn1.N#Cc1cnc(OCC23CC(C(=O)N4N=CC[C@@H]4c4cc(F)cc(F)c4)(C2)C3)cn1.N#Cc1cnc(OCC23CC(C(=O)N4N=CC[C@H]4c4cc(F)cc(F)c4)(C2)C3)cn1
InChIInChI=1S/C24H21F2N3O2.C22H19F2N5O2.C22H21N5O2.3C21H17F2N5O2/c1-15-6-16(10-27)2-3-21(15)31-14-23-11-24(12-23,13-23)22(30)29-20(4-5-28-29)17-7-18(25)9-19(26)8-17;1-13-4-17(24)15(5-16(13)23)18-2-3-28-29(18)20(30)22-9-21(10-22,11-22)12-31-19-8-26-14(6-25)7-27-19;1-15-2-4-16(5-3-15)18-6-7-26-27(18)20(28)22-11-21(12-22,13-22)14-29-19-10-24-17(8-23)9-25-19;3*22-14-3-13(4-15(23)5-14)17-1-2-27-28(17)19(29)21-9-20(10-21,11-21)12-30-18-8-25-16(6-24)7-26-18/h2-3,5-9,20H,4,11-14H2,1H3;3-5,7-8,18H,2,9-12H2,1H3;2-5,7,9-10,18H,6,11-14H2,1H3;3*2-5,7-8,17H,1,9-12H2/t;18-,21?,22?;;2*17-,20?,21?;/m.0.10./s1
InChIKeyRIWJFCQRYDGBIV-PMKFURRVSA-N
MW2460.50 g/mol
LogP20.67
Rot. Bonds30

About 5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile

5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile (PubChem CID 160638632) has the molecular formula C131H112F10N28O12 and a molecular weight of 2460.50 g/mol. Its IUPAC name is 5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile
PubChem CID160638632
Molecular FormulaC131H112F10N28O12
Molecular Weight2460.50 g/mol
Exact Mass2458.89
IUPAC Name5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile
SMILESCc1cc(C#N)ccc1OCC12CC(C(=O)N3N=CCC3c3cc(F)cc(F)c3)(C1)C2.Cc1cc(F)c([C@@H]2CC=NN2C(=O)C23CC(COc4cnc(C#N)cn4)(C2)C3)cc1F.Cc1ccc(C2CC=NN2C(=O)C23CC(COc4cnc(C#N)cn4)(C2)C3)cc1.N#Cc1cnc(OCC23CC(C(=O)N4N=CCC4c4cc(F)cc(F)c4)(C2)C3)cn1.N#Cc1cnc(OCC23CC(C(=O)N4N=CC[C@@H]4c4cc(F)cc(F)c4)(C2)C3)cn1.N#Cc1cnc(OCC23CC(C(=O)N4N=CC[C@H]4c4cc(F)cc(F)c4)(C2)C3)cn1
InChIInChI=1S/C24H21F2N3O2.C22H19F2N5O2.C22H21N5O2.3C21H17F2N5O2/c1-15-6-16(10-27)2-3-21(15)31-14-23-11-24(12-23,13-23)22(30)29-20(4-5-28-29)17-7-18(25)9-19(26)8-17;1-13-4-17(24)15(5-16(13)23)18-2-3-28-29(18)20(30)22-9-21(10-22,11-22)12-31-19-8-26-14(6-25)7-27-19;1-15-2-4-16(5-3-15)18-6-7-26-27(18)20(28)22-11-21(12-22,13-22)14-29-19-10-24-17(8-23)9-25-19;3*22-14-3-13(4-15(23)5-14)17-1-2-27-28(17)19(29)21-9-20(10-21,11-21)12-30-18-8-25-16(6-24)7-26-18/h2-3,5-9,20H,4,11-14H2,1H3;3-5,7-8,18H,2,9-12H2,1H3;2-5,7,9-10,18H,6,11-14H2,1H3;3*2-5,7-8,17H,1,9-12H2/t;18-,21?,22?;;2*17-,20?,21?;/m.0.10./s1
InChIKeyRIWJFCQRYDGBIV-PMKFURRVSA-N
XLogP20.67
TPSA523.04 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds30
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002460.50
LogP ≤ 520.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile with MolForge

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Related Compounds

5-[[3-[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile
CID 156665648
[3-(3,5-difluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;6-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methylamino]pyridine-3-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]pyrazine-2-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[[2-fluoro-4-(1-methylpyrrol-3-yl)phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methanone;5-[[3-[3-[4-fluoro-3-(hydroxymethyl)phenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile
CID 160604656
5-[[(2S)-4-[(3R)-3-[2,5-difluoro-4-(hydroxymethyl)phenyl]-3,4-dihydropyrazole-2-carbonyl]-2-bicyclo[2.1.1]hexanyl]methoxy]pyrazine-2-carbonitrile
CID 177200474
[3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;5-[2-[3-[(5-fluoro-6-methyl-2-pyridinyl)oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyrazine-2-carbonitrile;[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(5-methylpyrazin-2-yl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]-[3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]methanone
CID 159086416
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-ethyl-1-bicyclo[1.1.1]pentanyl)methanone
CID 157178880
6-[[3-[3-(4-cyclopropyl-3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyridine-3-carbonitrile;[3-(4-cyclopropyl-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;6-[[3-[3-[3,5-difluoro-4-(hydroxymethyl)phenyl]-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyridine-3-carbonitrile;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[[2-methyl-4-(1-methylpyrazol-4-yl)phenoxy]methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-[3-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone
CID 157496393
[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone
CID 158070192
5-[[3-[3-(2,6-difluorophenyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile
CID 158829027
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[fluoro-(3-methylphenyl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
CID 159459928
[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
CID 158507310
[3-(4-bromo-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,3-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2,4-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(2-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3-fluoro-4-methylphenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
CID 158507309
1-[[3-[3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[2.1.1]hexanyl]methyl]pyrazolo[4,5-b]pyridine-5-carbonitrile
CID 163576659

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile (CID 160638632) is 5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile is Cc1cc(C#N)ccc1OCC12CC(C(=O)N3N=CCC3c3cc(F)cc(F)c3)(C1)C2.Cc1cc(F)c([C@@H]2CC=NN2C(=O)C23CC(COc4cnc(C#N)cn4)(C2)C3)cc1F.Cc1ccc(C2CC=NN2C(=O)C23CC(COc4cnc(C#N)cn4)(C2)C3)cc1.N#Cc1cnc(OCC23CC(C(=O)N4N=CCC4c4cc(F)cc(F)c4)(C2)C3)cn1.N#Cc1cnc(OCC23CC(C(=O)N4N=CC[C@@H]4c4cc(F)cc(F)c4)(C2)C3)cn1.N#Cc1cnc(OCC23CC(C(=O)N4N=CC[C@H]4c4cc(F)cc(F)c4)(C2)C3)cn1.
What is the InChIKey of 5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile?
The InChIKey is RIWJFCQRYDGBIV-PMKFURRVSA-N. The full InChI is InChI=1S/C24H21F2N3O2.C22H19F2N5O2.C22H21N5O2.3C21H17F2N5O2/c1-15-6-16(10-27)2-3-21(15)31-14-23-11-24(12-23,13-23)22(30)29-20(4-5-28-29)17-7-18(25)9-19(26)8-17;1-13-4-17(24)15(5-16(13)23)18-2-3-28-29(18)20(30)22-9-21(10-22,11-22)12-31-19-8-26-14(6-25)7-27-19;1-15-2-4-16(5-3-15)18-6-7-26-27(18)20(28)22-11-21(12-22,13-22)14-29-19-10-24-17(8-23)9-25-19;3*22-14-3-13(4-15(23)5-14)17-1-2-27-28(17)19(29)21-9-20(10-21,11-21)12-30-18-8-25-16(6-24)7-26-18/h2-3,5-9,20H,4,11-14H2,1H3;3-5,7-8,18H,2,9-12H2,1H3;2-5,7,9-10,18H,6,11-14H2,1H3;3*2-5,7-8,17H,1,9-12H2/t;18-,21?,22?;;2*17-,20?,21?;/m.0.10./s1.
What are the key properties of 5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile?
5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile has a molecular weight of 2460.50 g/mol, XLogP of 20.67, 30 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(3S)-3-(2,5-difluoro-4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;4-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]-3-methylbenzonitrile;5-[[3-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile;5-[[3-[3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazine-2-carbonitrile is sourced from PubChem (CID 160638632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).