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

C34H32F6N4O — CID 146382956

IUPAC5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1cccc(OCC(C)C)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)CC2
InChIInChI=1S/C34H32F6N4O/c1-20(2)19-45-30-6-4-5-21(3)31(30)44-32(23-8-10-28-22(15-23)11-13-41-28)26-18-43(14-12-29(26)42-44)17-24-7-9-25(33(35,36)37)16-27(24)34(38,39)40/h4-11,13,15-16,20,41H,12,14,17-19H2,1-3H3
InChIKeyWEMDHDAEBPXFMA-UHFFFAOYSA-N
MW626.65 g/mol
LogP8.96
Rot. Bonds7

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

5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 146382956) has the molecular formula C34H32F6N4O and a molecular weight of 626.65 g/mol. Its IUPAC name is 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID146382956
Molecular FormulaC34H32F6N4O
Molecular Weight626.65 g/mol
Exact Mass626.25
IUPAC Name5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1cccc(OCC(C)C)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)CC2
InChIInChI=1S/C34H32F6N4O/c1-20(2)19-45-30-6-4-5-21(3)31(30)44-32(23-8-10-28-22(15-23)11-13-41-28)26-18-43(14-12-29(26)42-44)17-24-7-9-25(33(35,36)37)16-27(24)34(38,39)40/h4-11,13,15-16,20,41H,12,14,17-19H2,1-3H3
InChIKeyWEMDHDAEBPXFMA-UHFFFAOYSA-N
XLogP8.96
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.65
LogP ≤ 58.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-5-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-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 146382956) is 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-5-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-c1ccc3[nH]ccc3c1)CN(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)CC2.
What is the InChIKey of 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is WEMDHDAEBPXFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F6N4O/c1-20(2)19-45-30-6-4-5-21(3)31(30)44-32(23-8-10-28-22(15-23)11-13-41-28)26-18-43(14-12-29(26)42-44)17-24-7-9-25(33(35,36)37)16-27(24)34(38,39)40/h4-11,13,15-16,20,41H,12,14,17-19H2,1-3H3.
What are the key properties of 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 626.65 g/mol, XLogP of 8.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 146382956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).