3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid

C12H12N4O3 — CID 175289153

IUPAC3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid
SMILESO=C(O)N1CCc2c([nH]n(-c3ccccn3)c2=O)C1
InChIInChI=1S/C12H12N4O3/c17-11-8-4-6-15(12(18)19)7-9(8)14-16(11)10-3-1-2-5-13-10/h1-3,5,14H,4,6-7H2,(H,18,19)
InChIKeyYJJZWQGSEHDJCT-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.60
Rot. Bonds1

About 3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid

3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid (PubChem CID 175289153) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid
PubChem CID175289153
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid
SMILESO=C(O)N1CCc2c([nH]n(-c3ccccn3)c2=O)C1
InChIInChI=1S/C12H12N4O3/c17-11-8-4-6-15(12(18)19)7-9(8)14-16(11)10-3-1-2-5-13-10/h1-3,5,14H,4,6-7H2,(H,18,19)
InChIKeyYJJZWQGSEHDJCT-UHFFFAOYSA-N
XLogP0.60
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-2-yl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one
CID 66022503
2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
CID 46832026
5-[4-(benzenesulfonyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 164909669
3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
CID 86705136
6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 169082845
2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide
CID 175876876
tert-butyl 3-oxo-2-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[3,4-d]azepine-6-carboxylate
CID 67269055
2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373358
5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 164909597
5-(2,5-dimethylanilino)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 164909699
6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
CID 175402728
4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one
CID 46834055

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid?
The IUPAC name of 3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid (CID 175289153) is 3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid?
The canonical SMILES for 3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid is O=C(O)N1CCc2c([nH]n(-c3ccccn3)c2=O)C1.
What is the InChIKey of 3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid?
The InChIKey is YJJZWQGSEHDJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-11-8-4-6-15(12(18)19)7-9(8)14-16(11)10-3-1-2-5-13-10/h1-3,5,14H,4,6-7H2,(H,18,19).
What are the key properties of 3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid?
3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 175289153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).