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

C23H19F3N2O3 — CID 118714106

IUPAC[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3cccc(OC(F)(F)F)c3)c3ccccc23)cn1
InChIInChI=1S/C23H19F3N2O3/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)31-23(24,25)26/h2-12,29H,13-14H2,1H3
InChIKeyRMHOLQWCAJATFN-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.15
Rot. Bonds6

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

[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol (PubChem CID 118714106) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol.

Molecular Properties

Compound Name[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol
PubChem CID118714106
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3cccc(OC(F)(F)F)c3)c3ccccc23)cn1
InChIInChI=1S/C23H19F3N2O3/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)31-23(24,25)26/h2-12,29H,13-14H2,1H3
InChIKeyRMHOLQWCAJATFN-UHFFFAOYSA-N
XLogP5.15
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol?
The IUPAC name of [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol (CID 118714106) is [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol.
What is the SMILES notation for [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol?
The canonical SMILES for [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol is COc1ccc(-c2c(CO)n(Cc3cccc(OC(F)(F)F)c3)c3ccccc23)cn1.
What is the InChIKey of [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol?
The InChIKey is RMHOLQWCAJATFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/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)31-23(24,25)26/h2-12,29H,13-14H2,1H3.
What are the key properties of [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol?
[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol has a molecular weight of 428.41 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol is sourced from PubChem (CID 118714106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).