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

C33H32ClF3N4O — CID 146382989

IUPAC5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-(1H-indol-4-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1cccc(OCC(C)C)c1-n1nc2c(c1-c1cccc3[nH]ccc13)CN(Cc1cc(Cl)ccc1C(F)(F)F)CC2
InChIInChI=1S/C33H32ClF3N4O/c1-20(2)19-42-30-9-4-6-21(3)31(30)41-32(25-7-5-8-28-24(25)12-14-38-28)26-18-40(15-13-29(26)39-41)17-22-16-23(34)10-11-27(22)33(35,36)37/h4-12,14,16,20,38H,13,15,17-19H2,1-3H3
InChIKeyQQQCCVZNXURGIR-UHFFFAOYSA-N
MW593.09 g/mol
LogP8.59
Rot. Bonds7

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

5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-(1H-indol-4-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 146382989) has the molecular formula C33H32ClF3N4O and a molecular weight of 593.09 g/mol. Its IUPAC name is 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-(1H-indol-4-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-(1H-indol-4-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID146382989
Molecular FormulaC33H32ClF3N4O
Molecular Weight593.09 g/mol
Exact Mass592.22
IUPAC Name5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-(1H-indol-4-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1cccc(OCC(C)C)c1-n1nc2c(c1-c1cccc3[nH]ccc13)CN(Cc1cc(Cl)ccc1C(F)(F)F)CC2
InChIInChI=1S/C33H32ClF3N4O/c1-20(2)19-42-30-9-4-6-21(3)31(30)41-32(25-7-5-8-28-24(25)12-14-38-28)26-18-40(15-13-29(26)39-41)17-22-16-23(34)10-11-27(22)33(35,36)37/h4-12,14,16,20,38H,13,15,17-19H2,1-3H3
InChIKeyQQQCCVZNXURGIR-UHFFFAOYSA-N
XLogP8.59
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.09
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-(1H-indol-4-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-(1H-indol-4-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 146382989) is 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-(1H-indol-4-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-(1H-indol-4-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-(1H-indol-4-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cc1cccc(OCC(C)C)c1-n1nc2c(c1-c1cccc3[nH]ccc13)CN(Cc1cc(Cl)ccc1C(F)(F)F)CC2.
What is the InChIKey of 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-(1H-indol-4-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is QQQCCVZNXURGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32ClF3N4O/c1-20(2)19-42-30-9-4-6-21(3)31(30)41-32(25-7-5-8-28-24(25)12-14-38-28)26-18-40(15-13-29(26)39-41)17-22-16-23(34)10-11-27(22)33(35,36)37/h4-12,14,16,20,38H,13,15,17-19H2,1-3H3.
What are the key properties of 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-(1H-indol-4-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-(1H-indol-4-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 593.09 g/mol, XLogP of 8.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-(1H-indol-4-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 146382989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).