1-[(2-fluorophenyl)methyl]-6-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-c]pyridin-7-one

C18H16FN5O — CID 75441033

IUPAC1-[(2-fluorophenyl)methyl]-6-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cnnc1Cn1ccc2ccn(Cc3ccccc3F)c2c1=O
InChIInChI=1S/C18H16FN5O/c1-22-12-20-21-16(22)11-24-9-7-13-6-8-23(17(13)18(24)25)10-14-4-2-3-5-15(14)19/h2-9,12H,10-11H2,1H3
InChIKeyILLVXOAADSTNEK-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.17
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-6-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-c]pyridin-7-one

1-[(2-fluorophenyl)methyl]-6-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-c]pyridin-7-one (PubChem CID 75441033) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-6-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-6-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-c]pyridin-7-one
PubChem CID75441033
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name1-[(2-fluorophenyl)methyl]-6-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cnnc1Cn1ccc2ccn(Cc3ccccc3F)c2c1=O
InChIInChI=1S/C18H16FN5O/c1-22-12-20-21-16(22)11-24-9-7-13-6-8-23(17(13)18(24)25)10-14-4-2-3-5-15(14)19/h2-9,12H,10-11H2,1H3
InChIKeyILLVXOAADSTNEK-UHFFFAOYSA-N
XLogP2.17
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-{6-[4-(Propan-2-Yl)-4h-1,2,4-Triazol-3-Yl]pyridin-2-Yl}-2,3-Dihydro-1h-Isoindol-1-One
CID 127053602
2-[(3,4-Difluorophenyl)methyl]-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 155566604
(4-fluorophenyl)(8-methyl-3-(6-methylpyridin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 67451905
(4-fluorophenyl)-[(8R)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67453148
(4-fluorophenyl)-[3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67453320
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CID 72700268
[2-fluoro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 118949568
2-fluoro-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-4-methylbenzamide
CID 134137100
N-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CID 146282327
N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 44524055
(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53570482
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 57393122

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-6-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-6-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-c]pyridin-7-one (CID 75441033) is 1-[(2-fluorophenyl)methyl]-6-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-6-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-6-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-c]pyridin-7-one is Cn1cnnc1Cn1ccc2ccn(Cc3ccccc3F)c2c1=O.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-6-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is ILLVXOAADSTNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-22-12-20-21-16(22)11-24-9-7-13-6-8-23(17(13)18(24)25)10-14-4-2-3-5-15(14)19/h2-9,12H,10-11H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-6-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-c]pyridin-7-one?
1-[(2-fluorophenyl)methyl]-6-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 337.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-6-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 75441033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).