[7-(6-methoxy-3-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-6-yl]methanol

C24H19F3N2O4 — CID 118714121

IUPAC[7-(6-methoxy-3-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3cccc(C(F)(F)F)c3)c3cc4c(cc23)OCO4)cn1
InChIInChI=1S/C24H19F3N2O4/c1-31-22-6-5-15(10-28-22)23-17-8-20-21(33-13-32-20)9-18(17)29(19(23)12-30)11-14-3-2-4-16(7-14)24(25,26)27/h2-10,30H,11-13H2,1H3
InChIKeyUSLKZRXJKBAARM-UHFFFAOYSA-N
MW456.42 g/mol
LogP5.00
Rot. Bonds5

About [7-(6-methoxy-3-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-6-yl]methanol

[7-(6-methoxy-3-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-6-yl]methanol (PubChem CID 118714121) has the molecular formula C24H19F3N2O4 and a molecular weight of 456.42 g/mol. Its IUPAC name is [7-(6-methoxy-3-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-6-yl]methanol.

Molecular Properties

Compound Name[7-(6-methoxy-3-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
PubChem CID118714121
Molecular FormulaC24H19F3N2O4
Molecular Weight456.42 g/mol
Exact Mass456.13
IUPAC Name[7-(6-methoxy-3-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3cccc(C(F)(F)F)c3)c3cc4c(cc23)OCO4)cn1
InChIInChI=1S/C24H19F3N2O4/c1-31-22-6-5-15(10-28-22)23-17-8-20-21(33-13-32-20)9-18(17)29(19(23)12-30)11-14-3-2-4-16(7-14)24(25,26)27/h2-10,30H,11-13H2,1H3
InChIKeyUSLKZRXJKBAARM-UHFFFAOYSA-N
XLogP5.00
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-(6-methoxy-3-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
The IUPAC name of [7-(6-methoxy-3-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-6-yl]methanol (CID 118714121) is [7-(6-methoxy-3-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-6-yl]methanol.
What is the SMILES notation for [7-(6-methoxy-3-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
The canonical SMILES for [7-(6-methoxy-3-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-6-yl]methanol is COc1ccc(-c2c(CO)n(Cc3cccc(C(F)(F)F)c3)c3cc4c(cc23)OCO4)cn1.
What is the InChIKey of [7-(6-methoxy-3-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
The InChIKey is USLKZRXJKBAARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O4/c1-31-22-6-5-15(10-28-22)23-17-8-20-21(33-13-32-20)9-18(17)29(19(23)12-30)11-14-3-2-4-16(7-14)24(25,26)27/h2-10,30H,11-13H2,1H3.
What are the key properties of [7-(6-methoxy-3-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
[7-(6-methoxy-3-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-6-yl]methanol has a molecular weight of 456.42 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(6-methoxy-3-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-6-yl]methanol is sourced from PubChem (CID 118714121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).