[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone

C138H131F8N29O6 — CID 159411949

IUPAC[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
SMILESCc1ccc2c(ccn2CC23CC(C(=O)N4N=CCC4c4cc(F)cc(F)c4)(C2)C3)c1.Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4cncc(F)c4)(C2)C3)n1.Cc1ccc2nn(CC34CC(C(=O)N5N=CCC5c5cncc(F)c5)(C3)C4)c(C)c2c1.Cc1cnn(CC23CC(C(=O)N4N=CCC4c4cnc(C)cn4)(C2)C3)c1.Cc1nn(CC23CC(C(=O)N4N=CCC4c4cncc(F)c4)(C2)C3)c2ccc(C#N)cc12.O=C(N1N=CCC1c1cc(F)cc(F)c1)C12CC(Cn3ccc4ccc(F)cc43)(C1)C2
InChIInChI=1S/C25H23F2N3O.C24H20F3N3O.C24H21FN6O.C24H24FN5O.C22H21FN6O.C19H22N6O/c1-16-2-3-21-17(8-16)5-7-29(21)15-24-12-25(13-24,14-24)23(31)30-22(4-6-28-30)18-9-19(26)11-20(27)10-18;25-17-2-1-15-4-6-29(21(15)10-17)14-23-11-24(12-23,13-23)22(31)30-20(3-5-28-30)16-7-18(26)9-19(27)8-16;1-15-19-6-16(8-26)2-3-21(19)30(29-15)14-23-11-24(12-23,13-23)22(32)31-20(4-5-28-31)17-7-18(25)10-27-9-17;1-15-3-4-20-19(7-15)16(2)29(28-20)14-23-11-24(12-23,13-23)22(31)30-21(5-6-27-30)17-8-18(25)10-26-9-17;1-14-2-3-19-17(27-14)9-26-28(19)13-21-10-22(11-21,12-21)20(30)29-18(4-5-25-29)15-6-16(23)8-24-7-15;1-13-5-23-24(8-13)12-18-9-19(10-18,11-18)17(26)25-16(3-4-22-25)15-7-20-14(2)6-21-15/h2-3,5-11,22H,4,12-15H2,1H3;1-2,4-10,20H,3,11-14H2;2-3,5-7,9-10,20H,4,11-14H2,1H3;3-4,6-10,21H,5,11-14H2,1-2H3;2-3,5-9,18H,4,10-13H2,1H3;4-8,16H,3,9-12H2,1-2H3
InChIKeyLORMEOSYAQCPMY-UHFFFAOYSA-N
MW2443.75 g/mol
LogP24.57
Rot. Bonds24

About [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone

[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone (PubChem CID 159411949) has the molecular formula C138H131F8N29O6 and a molecular weight of 2443.75 g/mol. Its IUPAC name is [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone.

Molecular Properties

Compound Name[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
PubChem CID159411949
Molecular FormulaC138H131F8N29O6
Molecular Weight2443.75 g/mol
Exact Mass2442.07
IUPAC Name[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone
SMILESCc1ccc2c(ccn2CC23CC(C(=O)N4N=CCC4c4cc(F)cc(F)c4)(C2)C3)c1.Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4cncc(F)c4)(C2)C3)n1.Cc1ccc2nn(CC34CC(C(=O)N5N=CCC5c5cncc(F)c5)(C3)C4)c(C)c2c1.Cc1cnn(CC23CC(C(=O)N4N=CCC4c4cnc(C)cn4)(C2)C3)c1.Cc1nn(CC23CC(C(=O)N4N=CCC4c4cncc(F)c4)(C2)C3)c2ccc(C#N)cc12.O=C(N1N=CCC1c1cc(F)cc(F)c1)C12CC(Cn3ccc4ccc(F)cc43)(C1)C2
InChIInChI=1S/C25H23F2N3O.C24H20F3N3O.C24H21FN6O.C24H24FN5O.C22H21FN6O.C19H22N6O/c1-16-2-3-21-17(8-16)5-7-29(21)15-24-12-25(13-24,14-24)23(31)30-22(4-6-28-30)18-9-19(26)11-20(27)10-18;25-17-2-1-15-4-6-29(21(15)10-17)14-23-11-24(12-23,13-23)22(31)30-20(3-5-28-30)16-7-18(26)9-19(27)8-16;1-15-19-6-16(8-26)2-3-21(19)30(29-15)14-23-11-24(12-23,13-23)22(32)31-20(4-5-28-31)17-7-18(25)10-27-9-17;1-15-3-4-20-19(7-15)16(2)29(28-20)14-23-11-24(12-23,13-23)22(31)30-21(5-6-27-30)17-8-18(25)10-26-9-17;1-14-2-3-19-17(27-14)9-26-28(19)13-21-10-22(11-21,12-21)20(30)29-18(4-5-25-29)15-6-16(23)8-24-7-15;1-13-5-23-24(8-13)12-18-9-19(10-18,11-18)17(26)25-16(3-4-22-25)15-7-20-14(2)6-21-15/h2-3,5-11,22H,4,12-15H2,1H3;1-2,4-10,20H,3,11-14H2;2-3,5-7,9-10,20H,4,11-14H2,1H3;3-4,6-10,21H,5,11-14H2,1-2H3;2-3,5-9,18H,4,10-13H2,1H3;4-8,16H,3,9-12H2,1-2H3
InChIKeyLORMEOSYAQCPMY-UHFFFAOYSA-N
XLogP24.57
TPSA378.29 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002443.75
LogP ≤ 524.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone?
The IUPAC name of [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone (CID 159411949) is [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone.
What is the SMILES notation for [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone?
The canonical SMILES for [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone is Cc1ccc2c(ccn2CC23CC(C(=O)N4N=CCC4c4cc(F)cc(F)c4)(C2)C3)c1.Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4cncc(F)c4)(C2)C3)n1.Cc1ccc2nn(CC34CC(C(=O)N5N=CCC5c5cncc(F)c5)(C3)C4)c(C)c2c1.Cc1cnn(CC23CC(C(=O)N4N=CCC4c4cnc(C)cn4)(C2)C3)c1.Cc1nn(CC23CC(C(=O)N4N=CCC4c4cncc(F)c4)(C2)C3)c2ccc(C#N)cc12.O=C(N1N=CCC1c1cc(F)cc(F)c1)C12CC(Cn3ccc4ccc(F)cc43)(C1)C2.
What is the InChIKey of [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone?
The InChIKey is LORMEOSYAQCPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O.C24H20F3N3O.C24H21FN6O.C24H24FN5O.C22H21FN6O.C19H22N6O/c1-16-2-3-21-17(8-16)5-7-29(21)15-24-12-25(13-24,14-24)23(31)30-22(4-6-28-30)18-9-19(26)11-20(27)10-18;25-17-2-1-15-4-6-29(21(15)10-17)14-23-11-24(12-23,13-23)22(31)30-20(3-5-28-30)16-7-18(26)9-19(27)8-16;1-15-19-6-16(8-26)2-3-21(19)30(29-15)14-23-11-24(12-23,13-23)22(32)31-20(4-5-28-31)17-7-18(25)10-27-9-17;1-15-3-4-20-19(7-15)16(2)29(28-20)14-23-11-24(12-23,13-23)22(31)30-21(5-6-27-30)17-8-18(25)10-26-9-17;1-14-2-3-19-17(27-14)9-26-28(19)13-21-10-22(11-21,12-21)20(30)29-18(4-5-25-29)15-6-16(23)8-24-7-15;1-13-5-23-24(8-13)12-18-9-19(10-18,11-18)17(26)25-16(3-4-22-25)15-7-20-14(2)6-21-15/h2-3,5-11,22H,4,12-15H2,1H3;1-2,4-10,20H,3,11-14H2;2-3,5-7,9-10,20H,4,11-14H2,1H3;3-4,6-10,21H,5,11-14H2,1-2H3;2-3,5-9,18H,4,10-13H2,1H3;4-8,16H,3,9-12H2,1-2H3.
What are the key properties of [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone?
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone has a molecular weight of 2443.75 g/mol, XLogP of 24.57, 24 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(6-fluoroindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-[(3,5-dimethylindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone;1-[[3-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-1-bicyclo[1.1.1]pentanyl]methyl]-3-methylindazole-5-carbonitrile;[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methylpyrazolo[4,5-b]pyridin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone;[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]methanone is sourced from PubChem (CID 159411949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).