7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

C17H19FN4O3 — CID 67275075

IUPAC7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESCc1c(F)c(N2CC3CCCNC3C2)nc2[nH]cc(C(=O)O)c(=O)c12
InChIInChI=1S/C17H19FN4O3/c1-8-12-14(23)10(17(24)25)5-20-15(12)21-16(13(8)18)22-6-9-3-2-4-19-11(9)7-22/h5,9,11,19H,2-4,6-7H2,1H3,(H,24,25)(H,20,21,23)
InChIKeyYAAPUXYBPCGHHM-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.26
Rot. Bonds2

About 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 67275075) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
PubChem CID67275075
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESCc1c(F)c(N2CC3CCCNC3C2)nc2[nH]cc(C(=O)O)c(=O)c12
InChIInChI=1S/C17H19FN4O3/c1-8-12-14(23)10(17(24)25)5-20-15(12)21-16(13(8)18)22-6-9-3-2-4-19-11(9)7-22/h5,9,11,19H,2-4,6-7H2,1H3,(H,24,25)(H,20,21,23)
InChIKeyYAAPUXYBPCGHHM-UHFFFAOYSA-N
XLogP1.26
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (CID 67275075) is 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is Cc1c(F)c(N2CC3CCCNC3C2)nc2[nH]cc(C(=O)O)c(=O)c12.
What is the InChIKey of 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is YAAPUXYBPCGHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-8-12-14(23)10(17(24)25)5-20-15(12)21-16(13(8)18)22-6-9-3-2-4-19-11(9)7-22/h5,9,11,19H,2-4,6-7H2,1H3,(H,24,25)(H,20,21,23).
What are the key properties of 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 346.36 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-fluoro-5-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 67275075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).