1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)quinoline-3-carboxylic acid

C20H19FN4O3 — CID 139633319

About 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)quinoline-3-carboxylic acid

1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)quinoline-3-carboxylic acid (PubChem CID 139633319) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)quinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)quinoline-3-carboxylic acid
• PubChem CID: 139633319
• Molecular Formula: C20H19FN4O3
• Molecular Weight: 382.40 g/mol
• Exact Mass: 382.14
• IUPAC Name: 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)quinoline-3-carboxylic acid
• SMILES: Cc1c(F)c(N2CCc3[nH]ncc3C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1
• InChI: InChI=1S/C20H19FN4O3/c1-10-17-15(25(12-2-3-12)9-13(19(17)26)20(27)28)6-16(18(10)21)24-5-4-14-11(8-24)7-22-23-14/h6-7,9,12H,2-5,8H2,1H3,(H,22,23)(H,27,28)
• InChIKey: UOKUFJRVXYWJDT-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 91.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.40
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)quinoline-3-carboxylic acid?

The IUPAC name of 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)quinoline-3-carboxylic acid (CID 139633319) is 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)quinoline-3-carboxylic acid.

What is the SMILES notation for 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)quinoline-3-carboxylic acid?

The canonical SMILES for 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)quinoline-3-carboxylic acid is Cc1c(F)c(N2CCc3[nH]ncc3C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1.

What is the InChIKey of 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)quinoline-3-carboxylic acid?

The InChIKey is UOKUFJRVXYWJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-10-17-15(25(12-2-3-12)9-13(19(17)26)20(27)28)6-16(18(10)21)24-5-4-14-11(8-24)7-22-23-14/h6-7,9,12H,2-5,8H2,1H3,(H,22,23)(H,27,28).

What are the key properties of 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)quinoline-3-carboxylic acid?

1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)quinoline-3-carboxylic acid has a molecular weight of 382.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)quinoline-3-carboxylic acid is sourced from PubChem (CID 139633319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).