2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one

C19H14FN7O2 — CID 66614260

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one
SMILESO=c1[nH]c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(CO)c2[nH]1
InChIInChI=1S/C19H14FN7O2/c20-12-6-2-1-4-10(12)8-27-18-11(5-3-7-21-18)14(26-27)16-22-13(9-28)15-17(24-16)25-19(29)23-15/h1-7,28H,8-9H2,(H2,22,23,24,25,29)
InChIKeyOVJTWIWUJVAZBA-UHFFFAOYSA-N
MW391.37 g/mol
LogP1.74
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one (PubChem CID 66614260) has the molecular formula C19H14FN7O2 and a molecular weight of 391.37 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one
PubChem CID66614260
Molecular FormulaC19H14FN7O2
Molecular Weight391.37 g/mol
Exact Mass391.12
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one
SMILESO=c1[nH]c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(CO)c2[nH]1
InChIInChI=1S/C19H14FN7O2/c20-12-6-2-1-4-10(12)8-27-18-11(5-3-7-21-18)14(26-27)16-22-13(9-28)15-17(24-16)25-19(29)23-15/h1-7,28H,8-9H2,(H2,22,23,24,25,29)
InChIKeyOVJTWIWUJVAZBA-UHFFFAOYSA-N
XLogP1.74
TPSA125.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-8H-pteridin-7-one
CID 66614104
6-amino-7-(2,2-difluoroethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-9H-purin-8-one
CID 56928736
7-(2,2-difluoroethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-iodo-9H-purin-8-one
CID 87085208
4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid
CID 123321161
[4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol
CID 130250193
6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-(2,2,2-trifluoroethyl)-9H-purin-8-one
CID 56847714
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 131874918
3-[4,6-diamino-5-(sulfinamoylamino)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
CID 130245216
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine
CID 66613971
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
methyl 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 66614167
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one (CID 66614260) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one is O=c1[nH]c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(CO)c2[nH]1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one?
The InChIKey is OVJTWIWUJVAZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7O2/c20-12-6-2-1-4-10(12)8-27-18-11(5-3-7-21-18)14(26-27)16-22-13(9-28)15-17(24-16)25-19(29)23-15/h1-7,28H,8-9H2,(H2,22,23,24,25,29).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one?
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one has a molecular weight of 391.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-(hydroxymethyl)-7,9-dihydropurin-8-one is sourced from PubChem (CID 66614260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).