5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C32H30ClF3N4 — CID 146382996

IUPAC5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1c(Cl)cccc1C(F)(F)F)CC2
InChIInChI=1S/C32H30ClF3N4/c1-3-20-7-5-8-21(4-2)30(20)40-31(23-11-12-28-22(17-23)13-15-37-28)25-19-39(16-14-29(25)38-40)18-24-26(32(34,35)36)9-6-10-27(24)33/h5-13,15,17,37H,3-4,14,16,18-19H2,1-2H3
InChIKeySXCLVPFHSUVRQZ-UHFFFAOYSA-N
MW563.07 g/mol
LogP8.38
Rot. Bonds6

About 5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 146382996) has the molecular formula C32H30ClF3N4 and a molecular weight of 563.07 g/mol. Its IUPAC name is 5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID146382996
Molecular FormulaC32H30ClF3N4
Molecular Weight563.07 g/mol
Exact Mass562.21
IUPAC Name5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1c(Cl)cccc1C(F)(F)F)CC2
InChIInChI=1S/C32H30ClF3N4/c1-3-20-7-5-8-21(4-2)30(20)40-31(23-11-12-28-22(17-23)13-15-37-28)25-19-39(16-14-29(25)38-40)18-24-26(32(34,35)36)9-6-10-27(24)33/h5-13,15,17,37H,3-4,14,16,18-19H2,1-2H3
InChIKeySXCLVPFHSUVRQZ-UHFFFAOYSA-N
XLogP8.38
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.07
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

5-chloro-3-[6-(5-chloro-1H-indol-3-yl)pyridazin-3-yl]-1H-indole
CID 134399462
US10100045, Example 20
CID 134450391
7-(7-Chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-
CID 134452624
US10087185, Example 125
CID 134452629
US10087185, Example 73
CID 134458011
5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155513342
Antitumor agent-19
CID 139600306
Hpk1-IN-15
CID 134328276
3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 137351733
5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole
CID 145744893
4-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 145744894
3-chloro-4-[5-[(4-chloro-2-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 145744897

Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 146382996) is 5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1c(Cl)cccc1C(F)(F)F)CC2.
What is the InChIKey of 5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is SXCLVPFHSUVRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClF3N4/c1-3-20-7-5-8-21(4-2)30(20)40-31(23-11-12-28-22(17-23)13-15-37-28)25-19-39(16-14-29(25)38-40)18-24-26(32(34,35)36)9-6-10-27(24)33/h5-13,15,17,37H,3-4,14,16,18-19H2,1-2H3.
What are the key properties of 5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 563.07 g/mol, XLogP of 8.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 146382996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).