3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol

C18H12FN7O — CID 137031866

IUPAC3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol
SMILESOc1cc2nnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1
InChIInChI=1S/C18H12FN7O/c19-12-6-2-1-4-10(12)9-26-18-11(5-3-7-20-18)15(25-26)17-22-16-13(23-24-17)8-14(27)21-16/h1-8,27H,9H2,(H,21,22,24)
InChIKeyFYFNLZHRTJFJEY-UHFFFAOYSA-N
MW361.34 g/mol
LogP2.66
Rot. Bonds3

About 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol

3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol (PubChem CID 137031866) has the molecular formula C18H12FN7O and a molecular weight of 361.34 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol
PubChem CID137031866
Molecular FormulaC18H12FN7O
Molecular Weight361.34 g/mol
Exact Mass361.11
IUPAC Name3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol
SMILESOc1cc2nnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1
InChIInChI=1S/C18H12FN7O/c19-12-6-2-1-4-10(12)9-26-18-11(5-3-7-20-18)15(25-26)17-22-16-13(23-24-17)8-14(27)21-16/h1-8,27H,9H2,(H,21,22,24)
InChIKeyFYFNLZHRTJFJEY-UHFFFAOYSA-N
XLogP2.66
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol?
The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol (CID 137031866) is 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol is Oc1cc2nnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol?
The InChIKey is FYFNLZHRTJFJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN7O/c19-12-6-2-1-4-10(12)9-26-18-11(5-3-7-20-18)15(25-26)17-22-16-13(23-24-17)8-14(27)21-16/h1-8,27H,9H2,(H,21,22,24).
What are the key properties of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol?
3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol has a molecular weight of 361.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol is sourced from PubChem (CID 137031866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).