[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

C134H123F12N25O10 — CID 160604656

IUPAC[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
SMILESCN(CC12CC(C(=O)N3N=CCC3c3cc(F)cc(F)c3)(C1)C2)c1cnc(C#N)cn1.Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4cc(F)c(C)c(F)c4)(C2)C3)c1.Cn1ccc(-c2ccc(OCC34CC(C(=O)N5N=CCC5c5cc(F)cc(F)c5)(C3)C4)c(F)c2)c1.N#Cc1ccc(NCC23CC(C(=O)N4N=CCC4c4cc(F)cc(F)c4)(C2)C3)nc1.N#Cc1cnc(OCC23CC(C(=O)N4N=CCC4c4ccc(F)c(CO)c4)(C2)C3)cn1.O=C(N1N=CCC1c1cc(F)cc(F)c1)C12CC(CO)(C1)C2
InChIInChI=1S/C27H24F3N3O2.C25H24F2N4O.C22H20F2N6O.C22H19F2N5O.C22H20FN5O3.C16H16F2N2O2/c1-32-7-5-18(12-32)17-2-3-24(22(30)10-17)35-16-26-13-27(14-26,15-26)25(34)33-23(4-6-31-33)19-8-20(28)11-21(29)9-19;1-15-3-4-21-18(7-15)10-29-30(21)14-24-11-25(12-24,13-24)23(32)31-22(5-6-28-31)17-8-19(26)16(2)20(27)9-17;1-29(19-9-26-17(7-25)8-27-19)13-21-10-22(11-21,12-21)20(31)30-18(2-3-28-30)14-4-15(23)6-16(24)5-14;23-16-5-15(6-17(24)7-16)18-3-4-28-29(18)20(30)22-10-21(11-22,12-22)13-27-19-2-1-14(8-25)9-26-19;23-17-2-1-14(5-15(17)9-29)18-3-4-27-28(18)20(30)22-10-21(11-22,12-22)13-31-19-8-25-16(6-24)7-26-19;17-11-3-10(4-12(18)5-11)13-1-2-19-20(13)14(22)16-6-15(7-16,8-16)9-21/h2-3,5-12,23H,4,13-16H2,1H3;3-4,6-10,22H,5,11-14H2,1-2H3;3-6,8-9,18H,2,10-13H2,1H3;1-2,4-7,9,18H,3,10-13H2,(H,26,27);1-2,4-5,7-8,18,29H,3,9-13H2;2-5,13,21H,1,6-9H2
InChIKeyRESIVVPSJHGQTG-UHFFFAOYSA-N
MW2471.60 g/mol
LogP22.52
Rot. Bonds29

About [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

[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 (PubChem CID 160604656) has the molecular formula C134H123F12N25O10 and a molecular weight of 2471.60 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID160604656
Molecular FormulaC134H123F12N25O10
Molecular Weight2471.60 g/mol
Exact Mass2469.97
IUPAC Name[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
SMILESCN(CC12CC(C(=O)N3N=CCC3c3cc(F)cc(F)c3)(C1)C2)c1cnc(C#N)cn1.Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4cc(F)c(C)c(F)c4)(C2)C3)c1.Cn1ccc(-c2ccc(OCC34CC(C(=O)N5N=CCC5c5cc(F)cc(F)c5)(C3)C4)c(F)c2)c1.N#Cc1ccc(NCC23CC(C(=O)N4N=CCC4c4cc(F)cc(F)c4)(C2)C3)nc1.N#Cc1cnc(OCC23CC(C(=O)N4N=CCC4c4ccc(F)c(CO)c4)(C2)C3)cn1.O=C(N1N=CCC1c1cc(F)cc(F)c1)C12CC(CO)(C1)C2
InChIInChI=1S/C27H24F3N3O2.C25H24F2N4O.C22H20F2N6O.C22H19F2N5O.C22H20FN5O3.C16H16F2N2O2/c1-32-7-5-18(12-32)17-2-3-24(22(30)10-17)35-16-26-13-27(14-26,15-26)25(34)33-23(4-6-31-33)19-8-20(28)11-21(29)9-19;1-15-3-4-21-18(7-15)10-29-30(21)14-24-11-25(12-24,13-24)23(32)31-22(5-6-28-31)17-8-19(26)16(2)20(27)9-17;1-29(19-9-26-17(7-25)8-27-19)13-21-10-22(11-21,12-21)20(31)30-18(2-3-28-30)14-4-15(23)6-16(24)5-14;23-16-5-15(6-17(24)7-16)18-3-4-28-29(18)20(30)22-10-21(11-22,12-22)13-27-19-2-1-14(8-25)9-26-19;23-17-2-1-14(5-15(17)9-29)18-3-4-27-28(18)20(30)22-10-21(11-22,12-22)13-31-19-8-25-16(6-24)7-26-19;17-11-3-10(4-12(18)5-11)13-1-2-19-20(13)14(22)16-6-15(7-16,8-16)9-21/h2-3,5-12,23H,4,13-16H2,1H3;3-4,6-10,22H,5,11-14H2,1-2H3;3-6,8-9,18H,2,10-13H2,1H3;1-2,4-7,9,18H,3,10-13H2,(H,26,27);1-2,4-5,7-8,18,29H,3,9-13H2;2-5,13,21H,1,6-9H2
InChIKeyRESIVVPSJHGQTG-UHFFFAOYSA-N
XLogP22.52
TPSA428.78 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds29
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002471.60
LogP ≤ 522.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CN(CC12CC(C(=O)N3N=CCC3c3cc(F)cc(F)c3)(C1)C2)c1cnc(C#N)cn1.Cc1ccc2c(cnn2CC23CC(C(=O)N4N=CCC4c4cc(F)c(C)c(F)c4)(C2)C3)c1.Cn1ccc(-c2ccc(OCC34CC(C(=O)N5N=CCC5c5cc(F)cc(F)c5)(C3)C4)c(F)c2)c1.N#Cc1ccc(NCC23CC(C(=O)N4N=CCC4c4cc(F)cc(F)c4)(C2)C3)nc1.N#Cc1cnc(OCC23CC(C(=O)N4N=CCC4c4ccc(F)c(CO)c4)(C2)C3)cn1.O=C(N1N=CCC1c1cc(F)cc(F)c1)C12CC(CO)(C1)C2.
What is the InChIKey of [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?
The InChIKey is RESIVVPSJHGQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O2.C25H24F2N4O.C22H20F2N6O.C22H19F2N5O.C22H20FN5O3.C16H16F2N2O2/c1-32-7-5-18(12-32)17-2-3-24(22(30)10-17)35-16-26-13-27(14-26,15-26)25(34)33-23(4-6-31-33)19-8-20(28)11-21(29)9-19;1-15-3-4-21-18(7-15)10-29-30(21)14-24-11-25(12-24,13-24)23(32)31-22(5-6-28-31)17-8-19(26)16(2)20(27)9-17;1-29(19-9-26-17(7-25)8-27-19)13-21-10-22(11-21,12-21)20(31)30-18(2-3-28-30)14-4-15(23)6-16(24)5-14;23-16-5-15(6-17(24)7-16)18-3-4-28-29(18)20(30)22-10-21(11-22,12-22)13-27-19-2-1-14(8-25)9-26-19;23-17-2-1-14(5-15(17)9-29)18-3-4-27-28(18)20(30)22-10-21(11-22,12-22)13-31-19-8-25-16(6-24)7-26-19;17-11-3-10(4-12(18)5-11)13-1-2-19-20(13)14(22)16-6-15(7-16,8-16)9-21/h2-3,5-12,23H,4,13-16H2,1H3;3-4,6-10,22H,5,11-14H2,1-2H3;3-6,8-9,18H,2,10-13H2,1H3;1-2,4-7,9,18H,3,10-13H2,(H,26,27);1-2,4-5,7-8,18,29H,3,9-13H2;2-5,13,21H,1,6-9H2.
What are the key properties of [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?
[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 has a molecular weight of 2471.60 g/mol, XLogP of 22.52, 29 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 160604656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).