7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one

C17H12FN5O2 — CID 11336641

IUPAC7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one
SMILESCc1coc2nc(-c3nnn(-c4cccnc4F)c3C)ccc2c1=O
InChIInChI=1S/C17H12FN5O2/c1-9-8-25-17-11(15(9)24)5-6-12(20-17)14-10(2)23(22-21-14)13-4-3-7-19-16(13)18/h3-8H,1-2H3
InChIKeyRSZCSTOWBBILGO-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.59
Rot. Bonds2

About 7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one

7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one (PubChem CID 11336641) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one
PubChem CID11336641
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one
SMILESCc1coc2nc(-c3nnn(-c4cccnc4F)c3C)ccc2c1=O
InChIInChI=1S/C17H12FN5O2/c1-9-8-25-17-11(15(9)24)5-6-12(20-17)14-10(2)23(22-21-14)13-4-3-7-19-16(13)18/h3-8H,1-2H3
InChIKeyRSZCSTOWBBILGO-UHFFFAOYSA-N
XLogP2.59
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one 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 7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one?
The IUPAC name of 7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one (CID 11336641) is 7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one is Cc1coc2nc(-c3nnn(-c4cccnc4F)c3C)ccc2c1=O.
What is the InChIKey of 7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one?
The InChIKey is RSZCSTOWBBILGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c1-9-8-25-17-11(15(9)24)5-6-12(20-17)14-10(2)23(22-21-14)13-4-3-7-19-16(13)18/h3-8H,1-2H3.
What are the key properties of 7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one?
7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one has a molecular weight of 337.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylpyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 11336641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).