3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone

C100H111ClN20O4 — CID 159789423

IUPAC3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone
SMILESO=C(C1CCCCC1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(CC1CCCCC1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(CCc1ccc(Cl)cc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(Cc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2
InChIInChI=1S/C26H26ClN5O.C25H31N5O.C25H25N5O.C24H29N5O/c27-22-5-1-17(2-6-22)3-10-26(33)32-23-7-9-25(32)20(12-23)16-31-24-8-4-18(11-19(24)15-30-31)21-13-28-29-14-21;2*31-25(10-17-4-2-1-3-5-17)30-22-7-9-24(30)20(12-22)16-29-23-8-6-18(11-19(23)15-28-29)21-13-26-27-14-21;30-24(16-4-2-1-3-5-16)29-21-7-9-23(29)19(11-21)15-28-22-8-6-17(10-18(22)14-27-28)20-12-25-26-13-20/h1-2,4-6,8,11,13-15,20,23,25H,3,7,9-10,12,16H2,(H,28,29);6,8,11,13-15,17,20,22,24H,1-5,7,9-10,12,16H2,(H,26,27);1-6,8,11,13-15,20,22,24H,7,9-10,12,16H2,(H,26,27);6,8,10,12-14,16,19,21,23H,1-5,7,9,11,15H2,(H,25,26)
InChIKeyNIJDKIZQMZGVJE-UHFFFAOYSA-N
MW1692.58 g/mol
LogP18.30
Rot. Bonds20

About 3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone

3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone (PubChem CID 159789423) has the molecular formula C100H111ClN20O4 and a molecular weight of 1692.58 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone
PubChem CID159789423
Molecular FormulaC100H111ClN20O4
Molecular Weight1692.58 g/mol
Exact Mass1690.88
IUPAC Name3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone
SMILESO=C(C1CCCCC1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(CC1CCCCC1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(CCc1ccc(Cl)cc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(Cc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2
InChIInChI=1S/C26H26ClN5O.C25H31N5O.C25H25N5O.C24H29N5O/c27-22-5-1-17(2-6-22)3-10-26(33)32-23-7-9-25(32)20(12-23)16-31-24-8-4-18(11-19(24)15-30-31)21-13-28-29-14-21;2*31-25(10-17-4-2-1-3-5-17)30-22-7-9-24(30)20(12-22)16-29-23-8-6-18(11-19(23)15-28-29)21-13-26-27-14-21;30-24(16-4-2-1-3-5-16)29-21-7-9-23(29)19(11-21)15-28-22-8-6-17(10-18(22)14-27-28)20-12-25-26-13-20/h1-2,4-6,8,11,13-15,20,23,25H,3,7,9-10,12,16H2,(H,28,29);6,8,11,13-15,17,20,22,24H,1-5,7,9-10,12,16H2,(H,26,27);1-6,8,11,13-15,20,22,24H,7,9-10,12,16H2,(H,26,27);6,8,10,12-14,16,19,21,23H,1-5,7,9,11,15H2,(H,25,26)
InChIKeyNIJDKIZQMZGVJE-UHFFFAOYSA-N
XLogP18.30
TPSA267.24 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001692.58
LogP ≤ 518.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2R)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3,3-difluorobutyl)-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;N-(3,3-difluorobutyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(2-methylpropyl)-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 158269990
2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone
CID 118353221
2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone
CID 118353245
2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone
CID 118674488
3-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one
CID 118674509
phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 118674540
3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one
CID 118682235
2-(3-chlorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone
CID 118682242
cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 118682247
2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone
CID 118682254
3-(2-methylphenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one
CID 118682259
3-[2-oxo-2-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethyl]benzonitrile
CID 118682260

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone?
The IUPAC name of 3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone (CID 159789423) is 3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone?
The canonical SMILES for 3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone is O=C(C1CCCCC1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(CC1CCCCC1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(CCc1ccc(Cl)cc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(Cc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.
What is the InChIKey of 3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone?
The InChIKey is NIJDKIZQMZGVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O.C25H31N5O.C25H25N5O.C24H29N5O/c27-22-5-1-17(2-6-22)3-10-26(33)32-23-7-9-25(32)20(12-23)16-31-24-8-4-18(11-19(24)15-30-31)21-13-28-29-14-21;2*31-25(10-17-4-2-1-3-5-17)30-22-7-9-24(30)20(12-22)16-29-23-8-6-18(11-19(23)15-28-29)21-13-26-27-14-21;30-24(16-4-2-1-3-5-16)29-21-7-9-23(29)19(11-21)15-28-22-8-6-17(10-18(22)14-27-28)20-12-25-26-13-20/h1-2,4-6,8,11,13-15,20,23,25H,3,7,9-10,12,16H2,(H,28,29);6,8,11,13-15,17,20,22,24H,1-5,7,9-10,12,16H2,(H,26,27);1-6,8,11,13-15,20,22,24H,7,9-10,12,16H2,(H,26,27);6,8,10,12-14,16,19,21,23H,1-5,7,9,11,15H2,(H,25,26).
What are the key properties of 3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone?
3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone has a molecular weight of 1692.58 g/mol, XLogP of 18.30, 20 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-cyclohexyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;cyclohexyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone is sourced from PubChem (CID 159789423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).