1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-ol

C16H11F3N4O — CID 122654428

IUPAC1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-ol
SMILESCc1cc(-n2cc(O)c3ccc(C(F)(F)F)nc32)cc2cn[nH]c12
InChIInChI=1S/C16H11F3N4O/c1-8-4-10(5-9-6-20-22-14(8)9)23-7-12(24)11-2-3-13(16(17,18)19)21-15(11)23/h2-7,24H,1H3,(H,20,22)
InChIKeyFLYRDFIKRATFCP-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.93
Rot. Bonds1

About 1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-ol

1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-ol (PubChem CID 122654428) has the molecular formula C16H11F3N4O and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-ol.

Molecular Properties

Compound Name1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-ol
PubChem CID122654428
Molecular FormulaC16H11F3N4O
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-ol
SMILESCc1cc(-n2cc(O)c3ccc(C(F)(F)F)nc32)cc2cn[nH]c12
InChIInChI=1S/C16H11F3N4O/c1-8-4-10(5-9-6-20-22-14(8)9)23-7-12(24)11-2-3-13(16(17,18)19)21-15(11)23/h2-7,24H,1H3,(H,20,22)
InChIKeyFLYRDFIKRATFCP-UHFFFAOYSA-N
XLogP3.93
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-ol?
The IUPAC name of 1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-ol (CID 122654428) is 1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-ol.
What is the SMILES notation for 1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-ol?
The canonical SMILES for 1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-ol is Cc1cc(-n2cc(O)c3ccc(C(F)(F)F)nc32)cc2cn[nH]c12.
What is the InChIKey of 1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-ol?
The InChIKey is FLYRDFIKRATFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O/c1-8-4-10(5-9-6-20-22-14(8)9)23-7-12(24)11-2-3-13(16(17,18)19)21-15(11)23/h2-7,24H,1H3,(H,20,22).
What are the key properties of 1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-ol?
1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-ol has a molecular weight of 332.29 g/mol, XLogP of 3.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-ol is sourced from PubChem (CID 122654428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).