7-fluoro-2-methyl-10-oxo-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

C19H17FN4O4 — CID 139633267

About 7-fluoro-2-methyl-10-oxo-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

7-fluoro-2-methyl-10-oxo-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid (PubChem CID 139633267) has the molecular formula C19H17FN4O4 and a molecular weight of 384.37 g/mol. Its IUPAC name is 7-fluoro-2-methyl-10-oxo-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid.

Molecular Properties

• Compound Name: 7-fluoro-2-methyl-10-oxo-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
• PubChem CID: 139633267
• Molecular Formula: C19H17FN4O4
• Molecular Weight: 384.37 g/mol
• Exact Mass: 384.12
• IUPAC Name: 7-fluoro-2-methyl-10-oxo-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
• SMILES: CC1COc2c(N3CCc4[nH]ncc4C3)c(F)cc3c(=O)c(C(=O)O)cn1c23
• InChI: InChI=1S/C19H17FN4O4/c1-9-8-28-18-15-11(17(25)12(19(26)27)7-24(9)15)4-13(20)16(18)23-3-2-14-10(6-23)5-21-22-14/h4-5,7,9H,2-3,6,8H2,1H3,(H,21,22)(H,26,27)
• InChIKey: GXQDZPTXALULLM-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 100.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.37
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-10-oxo-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid?

The IUPAC name of 7-fluoro-2-methyl-10-oxo-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid (CID 139633267) is 7-fluoro-2-methyl-10-oxo-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid.

What is the SMILES notation for 7-fluoro-2-methyl-10-oxo-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid?

The canonical SMILES for 7-fluoro-2-methyl-10-oxo-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid is CC1COc2c(N3CCc4[nH]ncc4C3)c(F)cc3c(=O)c(C(=O)O)cn1c23.

What is the InChIKey of 7-fluoro-2-methyl-10-oxo-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid?

The InChIKey is GXQDZPTXALULLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4/c1-9-8-28-18-15-11(17(25)12(19(26)27)7-24(9)15)4-13(20)16(18)23-3-2-14-10(6-23)5-21-22-14/h4-5,7,9H,2-3,6,8H2,1H3,(H,21,22)(H,26,27).

What are the key properties of 7-fluoro-2-methyl-10-oxo-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid?

7-fluoro-2-methyl-10-oxo-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid has a molecular weight of 384.37 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-2-methyl-10-oxo-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid is sourced from PubChem (CID 139633267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).