2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol

C19H18FN5O — CID 136647101

IUPAC2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol
SMILESCCCn1cc2nc(-c3nnn(-c4ccccc4F)c3C)ccc2c1O
InChIInChI=1S/C19H18FN5O/c1-3-10-24-11-16-13(19(24)26)8-9-15(21-16)18-12(2)25(23-22-18)17-7-5-4-6-14(17)20/h4-9,11,26H,3,10H2,1-2H3
InChIKeyONTKYRNRUGXUST-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.85
Rot. Bonds4

About 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol

2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol (PubChem CID 136647101) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol
PubChem CID136647101
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol
SMILESCCCn1cc2nc(-c3nnn(-c4ccccc4F)c3C)ccc2c1O
InChIInChI=1S/C19H18FN5O/c1-3-10-24-11-16-13(19(24)26)8-9-15(21-16)18-12(2)25(23-22-18)17-7-5-4-6-14(17)20/h4-9,11,26H,3,10H2,1-2H3
InChIKeyONTKYRNRUGXUST-UHFFFAOYSA-N
XLogP3.85
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol (CID 136647101) is 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol is CCCn1cc2nc(-c3nnn(-c4ccccc4F)c3C)ccc2c1O.
What is the InChIKey of 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is ONTKYRNRUGXUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-3-10-24-11-16-13(19(24)26)8-9-15(21-16)18-12(2)25(23-22-18)17-7-5-4-6-14(17)20/h4-9,11,26H,3,10H2,1-2H3.
What are the key properties of 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol?
2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 351.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 136647101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).