[4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol

C22H17FN6O — CID 130250193

IUPAC[4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2n[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)n2)cc1
InChIInChI=1S/C22H17FN6O/c23-18-6-2-1-4-16(18)12-29-22-17(5-3-11-24-22)19(28-29)21-25-20(26-27-21)15-9-7-14(13-30)8-10-15/h1-11,30H,12-13H2,(H,25,26,27)
InChIKeyONNHXEIEIJSSTP-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.56
Rot. Bonds5

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

[4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol (PubChem CID 130250193) has the molecular formula C22H17FN6O and a molecular weight of 400.42 g/mol. Its IUPAC name is [4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol
PubChem CID130250193
Molecular FormulaC22H17FN6O
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC Name[4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2n[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)n2)cc1
InChIInChI=1S/C22H17FN6O/c23-18-6-2-1-4-16(18)12-29-22-17(5-3-11-24-22)19(28-29)21-25-20(26-27-21)15-9-7-14(13-30)8-10-15/h1-11,30H,12-13H2,(H,25,26,27)
InChIKeyONNHXEIEIJSSTP-UHFFFAOYSA-N
XLogP3.56
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol?
The IUPAC name of [4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol (CID 130250193) is [4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol?
The canonical SMILES for [4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol is OCc1ccc(-c2n[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)n2)cc1.
What is the InChIKey of [4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol?
The InChIKey is ONNHXEIEIJSSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O/c23-18-6-2-1-4-16(18)12-29-22-17(5-3-11-24-22)19(28-29)21-25-20(26-27-21)15-9-7-14(13-30)8-10-15/h1-11,30H,12-13H2,(H,25,26,27).
What are the key properties of [4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol?
[4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol has a molecular weight of 400.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol is sourced from PubChem (CID 130250193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).