1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one

C21H20FN7O — CID 130249985

IUPAC1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)n[nH]1
InChIInChI=1S/C21H20FN7O/c22-16-7-2-1-5-14(16)13-29-21-15(6-3-10-23-21)19(27-29)20-24-17(25-26-20)9-12-28-11-4-8-18(28)30/h1-3,5-7,10H,4,8-9,11-13H2,(H,24,25,26)
InChIKeySGUMUTBOABCVNO-UHFFFAOYSA-N
MW405.44 g/mol
LogP2.57
Rot. Bonds6

About 1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one

1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one (PubChem CID 130249985) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is 1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one
PubChem CID130249985
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC Name1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)n[nH]1
InChIInChI=1S/C21H20FN7O/c22-16-7-2-1-5-14(16)13-29-21-15(6-3-10-23-21)19(27-29)20-24-17(25-26-20)9-12-28-11-4-8-18(28)30/h1-3,5-7,10H,4,8-9,11-13H2,(H,24,25,26)
InChIKeySGUMUTBOABCVNO-UHFFFAOYSA-N
XLogP2.57
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137194144
2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanone
CID 134517505
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]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione
CID 56598243
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
2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol
CID 134517692
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-4H-1,2,4-triazol-3-one
CID 135882265
4-[2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazol-4-yl]benzoic acid
CID 129242597
[4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol
CID 130250193
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one
CID 66614260
1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
CID 134498648

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one (CID 130249985) is 1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)n[nH]1.
What is the InChIKey of 1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one?
The InChIKey is SGUMUTBOABCVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c22-16-7-2-1-5-14(16)13-29-21-15(6-3-10-23-21)19(27-29)20-24-17(25-26-20)9-12-28-11-4-8-18(28)30/h1-3,5-7,10H,4,8-9,11-13H2,(H,24,25,26).
What are the key properties of 1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one?
1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one has a molecular weight of 405.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 130249985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).