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

Related Compounds

1-(7-Methoxy-2-trifluoromethylpyrazolo[1,5-a]pyridin-4-yl)-2-(pyridin-4-yl)ethanone
CID 24798271
[7-Methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-pyridin-4-ylmethanone
CID 72193177
(5-fluoro-2-methoxyphenyl){1-[(1-pyridin-3-yl-1H-pyrrol-2-yl)methyl]piperidin-3-yl}methanone
CID 16191104
1-[7-Methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethane-1,2-dione
CID 72193176
4-(4-Fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carboxamide
CID 154644712
4-[1-[6-(2-Methoxy-5-methyl-3-pyridinyl)-4-methyl-3-pyridinyl]triazol-4-yl]benzoic acid
CID 172448369
4-[1-[6-(6-Methoxy-3-pyridinyl)-4-methyl-3-pyridinyl]triazol-4-yl]benzoic acid
CID 172463677
2-methoxy-3-{[4-(4-propyl-1H-1,2,3-triazol-1-yl)piperidin-1-yl]carbonyl}-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 46992227
[4-(4-Fluorophenyl)-5-pyridin-4-yltriazol-1-yl]-(2-methoxyphenyl)methanone
CID 10177401
7-[1-(6-Fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3-methylchromen-4-one
CID 11198463
7-[1-(2-Fluoro-3-pyridinyl)-5-methyltriazol-4-yl]chromen-4-one
CID 11267229
(2R)-7-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-2-methyl-2,3-dihydrochromen-4-one
CID 11267726

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).