7-(3-amino-4-fluoropyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one

C15H14FN5OS — CID 67696324

IUPAC7-(3-amino-4-fluoropyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one
SMILESNC1CN(c2ccc3c(=O)ccn(-c4nccs4)c3n2)CC1F
InChIInChI=1S/C15H14FN5OS/c16-10-7-20(8-11(10)17)13-2-1-9-12(22)3-5-21(14(9)19-13)15-18-4-6-23-15/h1-6,10-11H,7-8,17H2
InChIKeyPDQJTRFGSQBWIV-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.33
Rot. Bonds2

About 7-(3-amino-4-fluoropyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one

7-(3-amino-4-fluoropyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one (PubChem CID 67696324) has the molecular formula C15H14FN5OS and a molecular weight of 331.38 g/mol. Its IUPAC name is 7-(3-amino-4-fluoropyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-(3-amino-4-fluoropyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one
PubChem CID67696324
Molecular FormulaC15H14FN5OS
Molecular Weight331.38 g/mol
Exact Mass331.09
IUPAC Name7-(3-amino-4-fluoropyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one
SMILESNC1CN(c2ccc3c(=O)ccn(-c4nccs4)c3n2)CC1F
InChIInChI=1S/C15H14FN5OS/c16-10-7-20(8-11(10)17)13-2-1-9-12(22)3-5-21(14(9)19-13)15-18-4-6-23-15/h1-6,10-11H,7-8,17H2
InChIKeyPDQJTRFGSQBWIV-UHFFFAOYSA-N
XLogP1.33
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-4-fluoropyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one?
The IUPAC name of 7-(3-amino-4-fluoropyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one (CID 67696324) is 7-(3-amino-4-fluoropyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-(3-amino-4-fluoropyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one?
The canonical SMILES for 7-(3-amino-4-fluoropyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one is NC1CN(c2ccc3c(=O)ccn(-c4nccs4)c3n2)CC1F.
What is the InChIKey of 7-(3-amino-4-fluoropyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one?
The InChIKey is PDQJTRFGSQBWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5OS/c16-10-7-20(8-11(10)17)13-2-1-9-12(22)3-5-21(14(9)19-13)15-18-4-6-23-15/h1-6,10-11H,7-8,17H2.
What are the key properties of 7-(3-amino-4-fluoropyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one?
7-(3-amino-4-fluoropyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one has a molecular weight of 331.38 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-4-fluoropyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 67696324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).