7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde

C16H14FN5O2S — CID 10067004

IUPAC7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde
SMILESNC1CCN(c2nc3c(cc2F)c(=O)c(C=O)cn3-c2nccs2)C1
InChIInChI=1S/C16H14FN5O2S/c17-12-5-11-13(24)9(8-23)6-22(16-19-2-4-25-16)14(11)20-15(12)21-3-1-10(18)7-21/h2,4-6,8,10H,1,3,7,18H2
InChIKeyKXWQWZMJCRPAQI-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.33
Rot. Bonds3

About 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde

7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde (PubChem CID 10067004) has the molecular formula C16H14FN5O2S and a molecular weight of 359.39 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde.

Molecular Properties

Compound Name7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde
PubChem CID10067004
Molecular FormulaC16H14FN5O2S
Molecular Weight359.39 g/mol
Exact Mass359.09
IUPAC Name7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde
SMILESNC1CCN(c2nc3c(cc2F)c(=O)c(C=O)cn3-c2nccs2)C1
InChIInChI=1S/C16H14FN5O2S/c17-12-5-11-13(24)9(8-23)6-22(16-19-2-4-25-16)14(11)20-15(12)21-3-1-10(18)7-21/h2,4-6,8,10H,1,3,7,18H2
InChIKeyKXWQWZMJCRPAQI-UHFFFAOYSA-N
XLogP1.33
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde?
The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde (CID 10067004) is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde.
What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde?
The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde is NC1CCN(c2nc3c(cc2F)c(=O)c(C=O)cn3-c2nccs2)C1.
What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde?
The InChIKey is KXWQWZMJCRPAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2S/c17-12-5-11-13(24)9(8-23)6-22(16-19-2-4-25-16)14(11)20-15(12)21-3-1-10(18)7-21/h2,4-6,8,10H,1,3,7,18H2.
What are the key properties of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde?
7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde has a molecular weight of 359.39 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde is sourced from PubChem (CID 10067004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).