3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one

C13H12N4O2 — CID 136652207

IUPAC3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCc1ccccc1-n1nc2cc(O)[nH]c(=O)c2c1N
InChIInChI=1S/C13H12N4O2/c1-7-4-2-3-5-9(7)17-12(14)11-8(16-17)6-10(18)15-13(11)19/h2-6,18H,14H2,1H3,(H,15,19)
InChIKeyZHHFYKWLQUBLDA-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.31
Rot. Bonds1

About 3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one

3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 136652207) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID136652207
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCc1ccccc1-n1nc2cc(O)[nH]c(=O)c2c1N
InChIInChI=1S/C13H12N4O2/c1-7-4-2-3-5-9(7)17-12(14)11-8(16-17)6-10(18)15-13(11)19/h2-6,18H,14H2,1H3,(H,15,19)
InChIKeyZHHFYKWLQUBLDA-UHFFFAOYSA-N
XLogP1.31
TPSA96.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one (CID 136652207) is 3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one is Cc1ccccc1-n1nc2cc(O)[nH]c(=O)c2c1N.
What is the InChIKey of 3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is ZHHFYKWLQUBLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-7-4-2-3-5-9(7)17-12(14)11-8(16-17)6-10(18)15-13(11)19/h2-6,18H,14H2,1H3,(H,15,19).
What are the key properties of 3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one?
3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 256.26 g/mol, XLogP of 1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 136652207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).