1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C21H22N4O4 — CID 56709110

IUPAC1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)Cn1nc(C(=O)O)c2c1CCN(C(=O)c1cc(=O)c3ccccc3[nH]1)C2
InChIInChI=1S/C21H22N4O4/c1-12(2)10-25-17-7-8-24(11-14(17)19(23-25)21(28)29)20(27)16-9-18(26)13-5-3-4-6-15(13)22-16/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,22,26)(H,28,29)
InChIKeyNINAKQGSYXFFCF-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.28
Rot. Bonds4

About 1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56709110) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56709110
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)Cn1nc(C(=O)O)c2c1CCN(C(=O)c1cc(=O)c3ccccc3[nH]1)C2
InChIInChI=1S/C21H22N4O4/c1-12(2)10-25-17-7-8-24(11-14(17)19(23-25)21(28)29)20(27)16-9-18(26)13-5-3-4-6-15(13)22-16/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,22,26)(H,28,29)
InChIKeyNINAKQGSYXFFCF-UHFFFAOYSA-N
XLogP2.28
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
1-(2-methylpropyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56712497
3-[5-(4-oxo-1H-quinoline-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 72902550
2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one
CID 62897216
5-benzoyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26138413
5-(2-methyl-1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56702476
2-[(3R)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1H-quinolin-4-one
CID 95539266
5-[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 95205048
N-cyclopentyl-1-(2-methylpropyl)-5-(pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26232104
1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105480647
2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 72898151
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507662

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56709110) is 1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CC(C)Cn1nc(C(=O)O)c2c1CCN(C(=O)c1cc(=O)c3ccccc3[nH]1)C2.
What is the InChIKey of 1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is NINAKQGSYXFFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-12(2)10-25-17-7-8-24(11-14(17)19(23-25)21(28)29)20(27)16-9-18(26)13-5-3-4-6-15(13)22-16/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,22,26)(H,28,29).
What are the key properties of 1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 394.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56709110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).