[3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol

C24H20ClF3N2O2 — CID 69493840

IUPAC[3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol
SMILESCC(C)Oc1ccc(-c2c(-c3ccc(C(F)(F)F)cn3)ccc3[nH]c(CO)c(Cl)c23)cc1
InChIInChI=1S/C24H20ClF3N2O2/c1-13(2)32-16-6-3-14(4-7-16)21-17(18-9-5-15(11-29-18)24(26,27)28)8-10-19-22(21)23(25)20(12-31)30-19/h3-11,13,30-31H,12H2,1-2H3
InChIKeyPLGPKIZNUOZHSP-UHFFFAOYSA-N
MW460.88 g/mol
LogP6.85
Rot. Bonds5

About [3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol

[3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol (PubChem CID 69493840) has the molecular formula C24H20ClF3N2O2 and a molecular weight of 460.88 g/mol. Its IUPAC name is [3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol
PubChem CID69493840
Molecular FormulaC24H20ClF3N2O2
Molecular Weight460.88 g/mol
Exact Mass460.12
IUPAC Name[3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol
SMILESCC(C)Oc1ccc(-c2c(-c3ccc(C(F)(F)F)cn3)ccc3[nH]c(CO)c(Cl)c23)cc1
InChIInChI=1S/C24H20ClF3N2O2/c1-13(2)32-16-6-3-14(4-7-16)21-17(18-9-5-15(11-29-18)24(26,27)28)8-10-19-22(21)23(25)20(12-31)30-19/h3-11,13,30-31H,12H2,1-2H3
InChIKeyPLGPKIZNUOZHSP-UHFFFAOYSA-N
XLogP6.85
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.88
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol 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-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol?
The IUPAC name of [3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol (CID 69493840) is [3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol.
What is the SMILES notation for [3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol?
The canonical SMILES for [3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol is CC(C)Oc1ccc(-c2c(-c3ccc(C(F)(F)F)cn3)ccc3[nH]c(CO)c(Cl)c23)cc1.
What is the InChIKey of [3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol?
The InChIKey is PLGPKIZNUOZHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N2O2/c1-13(2)32-16-6-3-14(4-7-16)21-17(18-9-5-15(11-29-18)24(26,27)28)8-10-19-22(21)23(25)20(12-31)30-19/h3-11,13,30-31H,12H2,1-2H3.
What are the key properties of [3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol?
[3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol has a molecular weight of 460.88 g/mol, XLogP of 6.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol is sourced from PubChem (CID 69493840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).