[1-(1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methanol

C16H11F3N4O — CID 122654342

IUPAC[1-(1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
SMILESOCc1cc2ccc(C(F)(F)F)nc2n1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H11F3N4O/c17-16(18,19)14-4-1-9-5-12(8-24)23(15(9)21-14)11-2-3-13-10(6-11)7-20-22-13/h1-7,24H,8H2,(H,20,22)
InChIKeyAXRHJQWHQKMYLI-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.41
Rot. Bonds2

About [1-(1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methanol

[1-(1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methanol (PubChem CID 122654342) has the molecular formula C16H11F3N4O and a molecular weight of 332.29 g/mol. Its IUPAC name is [1-(1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[1-(1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
PubChem CID122654342
Molecular FormulaC16H11F3N4O
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name[1-(1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
SMILESOCc1cc2ccc(C(F)(F)F)nc2n1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H11F3N4O/c17-16(18,19)14-4-1-9-5-12(8-24)23(15(9)21-14)11-2-3-13-10(6-11)7-20-22-13/h1-7,24H,8H2,(H,20,22)
InChIKeyAXRHJQWHQKMYLI-UHFFFAOYSA-N
XLogP3.41
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of [1-(1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methanol (CID 122654342) is [1-(1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for [1-(1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for [1-(1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methanol is OCc1cc2ccc(C(F)(F)F)nc2n1-c1ccc2[nH]ncc2c1.
What is the InChIKey of [1-(1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methanol?
The InChIKey is AXRHJQWHQKMYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O/c17-16(18,19)14-4-1-9-5-12(8-24)23(15(9)21-14)11-2-3-13-10(6-11)7-20-22-13/h1-7,24H,8H2,(H,20,22).
What are the key properties of [1-(1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methanol?
[1-(1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methanol has a molecular weight of 332.29 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 122654342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).