2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one

C19H18FN5O — CID 23158211

IUPAC2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCCN1Cc2nc(-c3nnn(-c4ccccc4F)c3C)ccc2C1=O
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/h4-9H,3,10-11H2,1-2H3
InChIKeyAMWJBDIBHXYIGR-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.14
Rot. Bonds4

About 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one

2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 23158211) 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-propyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID23158211
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCCN1Cc2nc(-c3nnn(-c4ccccc4F)c3C)ccc2C1=O
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/h4-9H,3,10-11H2,1-2H3
InChIKeyAMWJBDIBHXYIGR-UHFFFAOYSA-N
XLogP3.14
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-[(1-methylcyclopropyl)methyl]-3H-isoindol-1-one
CID 58328337
2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 167204841
2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one
CID 23158365
5-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-2-(2-methylpropyl)-3H-isoindol-1-one
CID 11772945
[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol
CID 163437904
[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride
CID 155821941
5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 20937970
2-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-4-(2-fluorophenyl)-1,3-oxazole
CID 70990591
1-[3-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanone
CID 67955069
2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 46957228
1-(2-ethylphenyl)-4,5-dimethyltriazole
CID 58328350
[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196549

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 23158211) is 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one is CCCN1Cc2nc(-c3nnn(-c4ccccc4F)c3C)ccc2C1=O.
What is the InChIKey of 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is AMWJBDIBHXYIGR-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/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one?
2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 351.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 23158211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).