6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol

C16H17F3N4O — CID 137248557

IUPAC6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCc1cc(C(F)(F)F)n(CC(C)Cn2cc3ncccc3c2O)n1
InChIInChI=1S/C16H17F3N4O/c1-10(8-23-14(16(17,18)19)6-11(2)21-23)7-22-9-13-12(15(22)24)4-3-5-20-13/h3-6,9-10,24H,7-8H2,1-2H3
InChIKeyUHZSQSAGARHNES-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.60
Rot. Bonds4

About 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol

6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137248557) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137248557
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCc1cc(C(F)(F)F)n(CC(C)Cn2cc3ncccc3c2O)n1
InChIInChI=1S/C16H17F3N4O/c1-10(8-23-14(16(17,18)19)6-11(2)21-23)7-22-9-13-12(15(22)24)4-3-5-20-13/h3-6,9-10,24H,7-8H2,1-2H3
InChIKeyUHZSQSAGARHNES-UHFFFAOYSA-N
XLogP3.60
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol (CID 137248557) is 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol is Cc1cc(C(F)(F)F)n(CC(C)Cn2cc3ncccc3c2O)n1.
What is the InChIKey of 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is UHZSQSAGARHNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-10(8-23-14(16(17,18)19)6-11(2)21-23)7-22-9-13-12(15(22)24)4-3-5-20-13/h3-6,9-10,24H,7-8H2,1-2H3.
What are the key properties of 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol?
6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 338.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137248557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).