[1-[(2,4-difluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol

C23H17F5N2O3 — CID 118967130

IUPAC[1-[(2,4-difluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccc(F)cc3F)c3ccc(OC(F)(F)F)cc23)cn1
InChIInChI=1S/C23H17F5N2O3/c1-32-21-7-3-13(10-29-21)22-17-9-16(33-23(26,27)28)5-6-19(17)30(20(22)12-31)11-14-2-4-15(24)8-18(14)25/h2-10,31H,11-12H2,1H3
InChIKeyVLPIFSMKLNKZPM-UHFFFAOYSA-N
MW464.39 g/mol
LogP5.43
Rot. Bonds6

About [1-[(2,4-difluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol

[1-[(2,4-difluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol (PubChem CID 118967130) has the molecular formula C23H17F5N2O3 and a molecular weight of 464.39 g/mol. Its IUPAC name is [1-[(2,4-difluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2,4-difluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
PubChem CID118967130
Molecular FormulaC23H17F5N2O3
Molecular Weight464.39 g/mol
Exact Mass464.12
IUPAC Name[1-[(2,4-difluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccc(F)cc3F)c3ccc(OC(F)(F)F)cc23)cn1
InChIInChI=1S/C23H17F5N2O3/c1-32-21-7-3-13(10-29-21)22-17-9-16(33-23(26,27)28)5-6-19(17)30(20(22)12-31)11-14-2-4-15(24)8-18(14)25/h2-10,31H,11-12H2,1H3
InChIKeyVLPIFSMKLNKZPM-UHFFFAOYSA-N
XLogP5.43
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.39
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-difluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
The IUPAC name of [1-[(2,4-difluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol (CID 118967130) is [1-[(2,4-difluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol.
What is the SMILES notation for [1-[(2,4-difluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
The canonical SMILES for [1-[(2,4-difluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol is COc1ccc(-c2c(CO)n(Cc3ccc(F)cc3F)c3ccc(OC(F)(F)F)cc23)cn1.
What is the InChIKey of [1-[(2,4-difluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
The InChIKey is VLPIFSMKLNKZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F5N2O3/c1-32-21-7-3-13(10-29-21)22-17-9-16(33-23(26,27)28)5-6-19(17)30(20(22)12-31)11-14-2-4-15(24)8-18(14)25/h2-10,31H,11-12H2,1H3.
What are the key properties of [1-[(2,4-difluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
[1-[(2,4-difluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol has a molecular weight of 464.39 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-difluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol is sourced from PubChem (CID 118967130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).