5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione

C18H11FN6O2 — CID 165414925

IUPAC5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione
SMILESCn1ncc2c1C(=O)N(c1ccn3nc(-c4cccc(F)c4)nc3c1)C2=O
InChIInChI=1S/C18H11FN6O2/c1-23-15-13(9-20-23)17(26)25(18(15)27)12-5-6-24-14(8-12)21-16(22-24)10-3-2-4-11(19)7-10/h2-9H,1H3
InChIKeyVHEPLCRPSUMORC-UHFFFAOYSA-N
MW362.32 g/mol
LogP2.07
Rot. Bonds2

About 5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione

5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione (PubChem CID 165414925) has the molecular formula C18H11FN6O2 and a molecular weight of 362.32 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione
PubChem CID165414925
Molecular FormulaC18H11FN6O2
Molecular Weight362.32 g/mol
Exact Mass362.09
IUPAC Name5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione
SMILESCn1ncc2c1C(=O)N(c1ccn3nc(-c4cccc(F)c4)nc3c1)C2=O
InChIInChI=1S/C18H11FN6O2/c1-23-15-13(9-20-23)17(26)25(18(15)27)12-5-6-24-14(8-12)21-16(22-24)10-3-2-4-11(19)7-10/h2-9H,1H3
InChIKeyVHEPLCRPSUMORC-UHFFFAOYSA-N
XLogP2.07
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione with MolForge

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Related Compounds

N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377630
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
4-(azetidine-1-carbonyl)-N-[2-[5-(3-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288682
4-(azetidine-1-carbonyl)-1-methyl-N-{2-[3-phenyl-1-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-pyrazole-5-carboxamide
CID 71288719
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71538978
N-(2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(3-fluoroazetidine-1-carbonyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 57377850
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377960
4-(3-fluoro-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-isopropyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57378066
4-N,2-dimethyl-3-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide
CID 57378176
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid {2-[(2-fluoro-ethyl)-methyl-amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-amide
CID 57378391

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione?
The IUPAC name of 5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione (CID 165414925) is 5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione.
What is the SMILES notation for 5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione?
The canonical SMILES for 5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione is Cn1ncc2c1C(=O)N(c1ccn3nc(-c4cccc(F)c4)nc3c1)C2=O.
What is the InChIKey of 5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione?
The InChIKey is VHEPLCRPSUMORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN6O2/c1-23-15-13(9-20-23)17(26)25(18(15)27)12-5-6-24-14(8-12)21-16(22-24)10-3-2-4-11(19)7-10/h2-9H,1H3.
What are the key properties of 5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione?
5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione has a molecular weight of 362.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrrolo[3,4-d]pyrazole-4,6-dione is sourced from PubChem (CID 165414925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).