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

C28H21Cl2F3N4 — CID 146383006

IUPAC2-(2,6-dichlorophenyl)-3-(1H-indol-5-yl)-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1ccccc1CN1CCc2nn(-c3c(Cl)cccc3Cl)c(-c3ccc4[nH]ccc4c3)c2C1
InChIInChI=1S/C28H21Cl2F3N4/c29-22-6-3-7-23(30)27(22)37-26(18-8-9-24-17(14-18)10-12-34-24)20-16-36(13-11-25(20)35-37)15-19-4-1-2-5-21(19)28(31,32)33/h1-10,12,14,34H,11,13,15-16H2
InChIKeyLGIKLAPZABPLMC-UHFFFAOYSA-N
MW541.40 g/mol
LogP7.90
Rot. Bonds4

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

2-(2,6-dichlorophenyl)-3-(1H-indol-5-yl)-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 146383006) has the molecular formula C28H21Cl2F3N4 and a molecular weight of 541.40 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-(1H-indol-5-yl)-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-(1H-indol-5-yl)-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID146383006
Molecular FormulaC28H21Cl2F3N4
Molecular Weight541.40 g/mol
Exact Mass540.11
IUPAC Name2-(2,6-dichlorophenyl)-3-(1H-indol-5-yl)-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1ccccc1CN1CCc2nn(-c3c(Cl)cccc3Cl)c(-c3ccc4[nH]ccc4c3)c2C1
InChIInChI=1S/C28H21Cl2F3N4/c29-22-6-3-7-23(30)27(22)37-26(18-8-9-24-17(14-18)10-12-34-24)20-16-36(13-11-25(20)35-37)15-19-4-1-2-5-21(19)28(31,32)33/h1-10,12,14,34H,11,13,15-16H2
InChIKeyLGIKLAPZABPLMC-UHFFFAOYSA-N
XLogP7.90
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.40
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3-(1H-indol-5-yl)-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-(1H-indol-5-yl)-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 146383006) is 2-(2,6-dichlorophenyl)-3-(1H-indol-5-yl)-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-(1H-indol-5-yl)-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-(1H-indol-5-yl)-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is FC(F)(F)c1ccccc1CN1CCc2nn(-c3c(Cl)cccc3Cl)c(-c3ccc4[nH]ccc4c3)c2C1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-(1H-indol-5-yl)-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is LGIKLAPZABPLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21Cl2F3N4/c29-22-6-3-7-23(30)27(22)37-26(18-8-9-24-17(14-18)10-12-34-24)20-16-36(13-11-25(20)35-37)15-19-4-1-2-5-21(19)28(31,32)33/h1-10,12,14,34H,11,13,15-16H2.
What are the key properties of 2-(2,6-dichlorophenyl)-3-(1H-indol-5-yl)-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
2-(2,6-dichlorophenyl)-3-(1H-indol-5-yl)-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 541.40 g/mol, XLogP of 7.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3-(1H-indol-5-yl)-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 146383006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).