[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol

C17H12F3N5O2 — CID 155249874

IUPAC[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol
SMILESCn1cc(CO)c2cc(-c3cc(-c4noc(C(F)(F)F)n4)ccn3)ncc21
InChIInChI=1S/C17H12F3N5O2/c1-25-7-10(8-26)11-5-13(22-6-14(11)25)12-4-9(2-3-21-12)15-23-16(27-24-15)17(18,19)20/h2-7,26H,8H2,1H3
InChIKeyWGBDXDXHOZATQC-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.20
Rot. Bonds3

About [1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol

[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol (PubChem CID 155249874) has the molecular formula C17H12F3N5O2 and a molecular weight of 375.31 g/mol. Its IUPAC name is [1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol
PubChem CID155249874
Molecular FormulaC17H12F3N5O2
Molecular Weight375.31 g/mol
Exact Mass375.09
IUPAC Name[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol
SMILESCn1cc(CO)c2cc(-c3cc(-c4noc(C(F)(F)F)n4)ccn3)ncc21
InChIInChI=1S/C17H12F3N5O2/c1-25-7-10(8-26)11-5-13(22-6-14(11)25)12-4-9(2-3-21-12)15-23-16(27-24-15)17(18,19)20/h2-7,26H,8H2,1H3
InChIKeyWGBDXDXHOZATQC-UHFFFAOYSA-N
XLogP3.20
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol?
The IUPAC name of [1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol (CID 155249874) is [1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol is Cn1cc(CO)c2cc(-c3cc(-c4noc(C(F)(F)F)n4)ccn3)ncc21.
What is the InChIKey of [1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol?
The InChIKey is WGBDXDXHOZATQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2/c1-25-7-10(8-26)11-5-13(22-6-14(11)25)12-4-9(2-3-21-12)15-23-16(27-24-15)17(18,19)20/h2-7,26H,8H2,1H3.
What are the key properties of [1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol?
[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol has a molecular weight of 375.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 155249874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).