[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol

C23H19F3N2O2 — CID 118714103

IUPAC[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cn1
InChIInChI=1S/C23H19F3N2O2/c1-30-21-10-9-16(12-27-21)22-18-7-2-3-8-19(18)28(20(22)14-29)13-15-5-4-6-17(11-15)23(24,25)26/h2-12,29H,13-14H2,1H3
InChIKeyHFPUPQHYSFVRAA-UHFFFAOYSA-N
MW412.41 g/mol
LogP5.27
Rot. Bonds5

About [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol

[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol (PubChem CID 118714103) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol.

Molecular Properties

Compound Name[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol
PubChem CID118714103
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC Name[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cn1
InChIInChI=1S/C23H19F3N2O2/c1-30-21-10-9-16(12-27-21)22-18-7-2-3-8-19(18)28(20(22)14-29)13-15-5-4-6-17(11-15)23(24,25)26/h2-12,29H,13-14H2,1H3
InChIKeyHFPUPQHYSFVRAA-UHFFFAOYSA-N
XLogP5.27
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.41
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol?
The IUPAC name of [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol (CID 118714103) is [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol.
What is the SMILES notation for [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol?
The canonical SMILES for [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol is COc1ccc(-c2c(CO)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cn1.
What is the InChIKey of [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol?
The InChIKey is HFPUPQHYSFVRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c1-30-21-10-9-16(12-27-21)22-18-7-2-3-8-19(18)28(20(22)14-29)13-15-5-4-6-17(11-15)23(24,25)26/h2-12,29H,13-14H2,1H3.
What are the key properties of [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol?
[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol has a molecular weight of 412.41 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol is sourced from PubChem (CID 118714103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).