3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one

C18H12FN7O — CID 56597206

IUPAC3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one
SMILESO=C1Cc2nnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2N1
InChIInChI=1S/C18H12FN7O/c19-12-6-2-1-4-10(12)9-26-18-11(5-3-7-20-18)15(25-26)17-22-16-13(23-24-17)8-14(27)21-16/h1-7H,8-9H2,(H,21,22,24,27)
InChIKeyLRFAMNYLUCOHIG-UHFFFAOYSA-N
MW361.34 g/mol
LogP1.97
Rot. Bonds3

About 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one

3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one (PubChem CID 56597206) has the molecular formula C18H12FN7O and a molecular weight of 361.34 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one
PubChem CID56597206
Molecular FormulaC18H12FN7O
Molecular Weight361.34 g/mol
Exact Mass361.11
IUPAC Name3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one
SMILESO=C1Cc2nnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2N1
InChIInChI=1S/C18H12FN7O/c19-12-6-2-1-4-10(12)9-26-18-11(5-3-7-20-18)15(25-26)17-22-16-13(23-24-17)8-14(27)21-16/h1-7H,8-9H2,(H,21,22,24,27)
InChIKeyLRFAMNYLUCOHIG-UHFFFAOYSA-N
XLogP1.97
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione
CID 56598243
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137194144
4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 56598551
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 71285704
6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
CID 71612612
1-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-ol
CID 134499366
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[(2-methylpyrazol-3-yl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 71285373
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one
CID 157406847
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one
CID 66614260
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(3-methylbutylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 71290262
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine
CID 66613971
[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-4-yl] carbonochloridate
CID 118902734

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one?
The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one (CID 56597206) is 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one is O=C1Cc2nnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2N1.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one?
The InChIKey is LRFAMNYLUCOHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN7O/c19-12-6-2-1-4-10(12)9-26-18-11(5-3-7-20-18)15(25-26)17-22-16-13(23-24-17)8-14(27)21-16/h1-7H,8-9H2,(H,21,22,24,27).
What are the key properties of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one?
3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one has a molecular weight of 361.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one is sourced from PubChem (CID 56597206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).