4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide

C30H28ClF3N4O3S — CID 126616908

IUPAC4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide
SMILESNC(=O)c1ccc(C(c2ccc(Cl)cc2)c2ccc3nn(C4CC4)c(C4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2)cc1
InChIInChI=1S/C30H28ClF3N4O3S/c31-23-8-5-19(6-9-23)27(18-1-3-21(4-2-18)29(35)39)22-7-12-26-25(17-22)28(38(36-26)24-10-11-24)20-13-15-37(16-14-20)42(40,41)30(32,33)34/h1-9,12,17,20,24,27H,10-11,13-16H2,(H2,35,39)
InChIKeyVRSZULDXEYTPSY-UHFFFAOYSA-N
MW617.09 g/mol
LogP6.33
Rot. Bonds7

About 4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide

4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide (PubChem CID 126616908) has the molecular formula C30H28ClF3N4O3S and a molecular weight of 617.09 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide
PubChem CID126616908
Molecular FormulaC30H28ClF3N4O3S
Molecular Weight617.09 g/mol
Exact Mass616.15
IUPAC Name4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide
SMILESNC(=O)c1ccc(C(c2ccc(Cl)cc2)c2ccc3nn(C4CC4)c(C4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2)cc1
InChIInChI=1S/C30H28ClF3N4O3S/c31-23-8-5-19(6-9-23)27(18-1-3-21(4-2-18)29(35)39)22-7-12-26-25(17-22)28(38(36-26)24-10-11-24)20-13-15-37(16-14-20)42(40,41)30(32,33)34/h1-9,12,17,20,24,27H,10-11,13-16H2,(H2,35,39)
InChIKeyVRSZULDXEYTPSY-UHFFFAOYSA-N
XLogP6.33
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.09
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide 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

5-chloro-4-[3-chloro-5-(4-chloro-3-fluorophenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 137645311
5-chloro-2-fluoro-4-[3-fluoro-5-(3-methylphenyl)indazol-1-yl]-N-methylsulfonylbenzamide
CID 137661415
5-[Bis(4-chlorophenyl)methyl]-1-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazole
CID 126616793
4-[(4-Chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzoic acid
CID 126616869
5-[4-[5-[Bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-2-fluorobenzamide
CID 126616900
5-[Bis(4-chlorophenyl)methyl]-2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazole
CID 126616938
5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide
CID 126617134
4-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-2-fluoro-N-methylbenzamide
CID 126617184
2-[[5-[Bis(4-chlorophenyl)methyl]-3-[4-(trifluoromethylsulfonyl)piperazin-1-yl]indazol-1-yl]methyl]benzamide
CID 132470975
4-[5-[Bis(4-chlorophenyl)methyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-1-yl]benzamide
CID 132471035
4-[5-[bis(4-chlorophenyl)methyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-1-yl]-N-(2-hydroxyethyl)benzamide
CID 132471053
3-[[4-[5-[Bis(4-chlorophenyl)methyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-1-yl]benzoyl]amino]propanoic acid
CID 132471054

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide (CID 126616908) is 4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide is NC(=O)c1ccc(C(c2ccc(Cl)cc2)c2ccc3nn(C4CC4)c(C4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide?
The InChIKey is VRSZULDXEYTPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClF3N4O3S/c31-23-8-5-19(6-9-23)27(18-1-3-21(4-2-18)29(35)39)22-7-12-26-25(17-22)28(38(36-26)24-10-11-24)20-13-15-37(16-14-20)42(40,41)30(32,33)34/h1-9,12,17,20,24,27H,10-11,13-16H2,(H2,35,39).
What are the key properties of 4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide?
4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide has a molecular weight of 617.09 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-[2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-5-yl]methyl]benzamide is sourced from PubChem (CID 126616908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).