3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole

C30H18ClF6N3 — CID 87240419

IUPAC3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole
SMILESFc1cc(F)c(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccc3c(ccn3Cc3ccc(Cl)cc3)c2)c(F)c1
InChIInChI=1S/C30H18ClF6N3/c31-20-7-4-17(5-8-20)15-39-11-10-18-12-19(6-9-27(18)39)29-22-2-1-3-24(30(35,36)37)28(22)38-40(29)16-23-25(33)13-21(32)14-26(23)34/h1-14H,15-16H2
InChIKeyFHZVGBUENOMOCA-UHFFFAOYSA-N
MW569.94 g/mol
LogP8.84
Rot. Bonds5

About 3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole

3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole (PubChem CID 87240419) has the molecular formula C30H18ClF6N3 and a molecular weight of 569.94 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole
PubChem CID87240419
Molecular FormulaC30H18ClF6N3
Molecular Weight569.94 g/mol
Exact Mass569.11
IUPAC Name3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole
SMILESFc1cc(F)c(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccc3c(ccn3Cc3ccc(Cl)cc3)c2)c(F)c1
InChIInChI=1S/C30H18ClF6N3/c31-20-7-4-17(5-8-20)15-39-11-10-18-12-19(6-9-27(18)39)29-22-2-1-3-24(30(35,36)37)28(22)38-40(29)16-23-25(33)13-21(32)14-26(23)34/h1-14H,15-16H2
InChIKeyFHZVGBUENOMOCA-UHFFFAOYSA-N
XLogP8.84
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.94
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole (CID 87240419) is 3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole is Fc1cc(F)c(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccc3c(ccn3Cc3ccc(Cl)cc3)c2)c(F)c1.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole?
The InChIKey is FHZVGBUENOMOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18ClF6N3/c31-20-7-4-17(5-8-20)15-39-11-10-18-12-19(6-9-27(18)39)29-22-2-1-3-24(30(35,36)37)28(22)38-40(29)16-23-25(33)13-21(32)14-26(23)34/h1-14H,15-16H2.
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole?
3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole has a molecular weight of 569.94 g/mol, XLogP of 8.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorophenyl)methyl]indol-5-yl]-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole is sourced from PubChem (CID 87240419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).