formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C19H20N4O5 — CID 163334328

About formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 163334328) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
• PubChem CID: 163334328
• Molecular Formula: C19H20N4O5
• Molecular Weight: 384.39 g/mol
• Exact Mass: 384.14
• IUPAC Name: formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
• SMILES: Cn1c(=O)c(CN2CCc3[nH]nc(C(=O)O)c3C2)cc2ccccc21.O=CO
• InChI: InChI=1S/C18H18N4O3.CH2O2/c1-21-15-5-3-2-4-11(15)8-12(17(21)23)9-22-7-6-14-13(10-22)16(18(24)25)20-19-14;2-1-3/h2-5,8H,6-7,9-10H2,1H3,(H,19,20)(H,24,25);1H,(H,2,3)
• InChIKey: MJOYCZWTIXKGDM-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 128.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.39
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?

The IUPAC name of formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 163334328) is formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

What is the SMILES notation for formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?

The canonical SMILES for formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is Cn1c(=O)c(CN2CCc3[nH]nc(C(=O)O)c3C2)cc2ccccc21.O=CO.

What is the InChIKey of formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?

The InChIKey is MJOYCZWTIXKGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3.CH2O2/c1-21-15-5-3-2-4-11(15)8-12(17(21)23)9-22-7-6-14-13(10-22)16(18(24)25)20-19-14;2-1-3/h2-5,8H,6-7,9-10H2,1H3,(H,19,20)(H,24,25);1H,(H,2,3).

What are the key properties of formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?

formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 384.39 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 163334328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).