7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C17H17N5O4S — CID 25204357

IUPAC7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCOC1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)CC1N
InChIInChI=1S/C17H17N5O4S/c1-26-12-8-21(7-11(12)18)13-3-2-9-14(23)10(16(24)25)6-22(15(9)20-13)17-19-4-5-27-17/h2-6,11-12H,7-8,18H2,1H3,(H,24,25)
InChIKeyOCFVOHOLUYXSQZ-UHFFFAOYSA-N
MW387.42 g/mol
LogP0.70
Rot. Bonds4

About 7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 25204357) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is 7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID25204357
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC Name7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCOC1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)CC1N
InChIInChI=1S/C17H17N5O4S/c1-26-12-8-21(7-11(12)18)13-3-2-9-14(23)10(16(24)25)6-22(15(9)20-13)17-19-4-5-27-17/h2-6,11-12H,7-8,18H2,1H3,(H,24,25)
InChIKeyOCFVOHOLUYXSQZ-UHFFFAOYSA-N
XLogP0.70
TPSA123.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 25204357) is 7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is COC1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)CC1N.
What is the InChIKey of 7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is OCFVOHOLUYXSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-26-12-8-21(7-11(12)18)13-3-2-9-14(23)10(16(24)25)6-22(15(9)20-13)17-19-4-5-27-17/h2-6,11-12H,7-8,18H2,1H3,(H,24,25).
What are the key properties of 7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 387.42 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 25204357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).