2-[1-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]-5H-[1,3]thiazolo[5,4-c][1,7]naphthyridin-4-one

C20H14FN5OS — CID 70849610

IUPAC2-[1-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]-5H-[1,3]thiazolo[5,4-c][1,7]naphthyridin-4-one
SMILESO=c1[nH]c2cnccc2c2nc(-c3ccn(CCc4ccc(F)cc4)n3)sc12
InChIInChI=1S/C20H14FN5OS/c21-13-3-1-12(2-4-13)6-9-26-10-7-15(25-26)20-24-17-14-5-8-22-11-16(14)23-19(27)18(17)28-20/h1-5,7-8,10-11H,6,9H2,(H,23,27)
InChIKeyOBDBEULOCSCQLR-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.78
Rot. Bonds4

About 2-[1-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]-5H-[1,3]thiazolo[5,4-c][1,7]naphthyridin-4-one

2-[1-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]-5H-[1,3]thiazolo[5,4-c][1,7]naphthyridin-4-one (PubChem CID 70849610) has the molecular formula C20H14FN5OS and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]-5H-[1,3]thiazolo[5,4-c][1,7]naphthyridin-4-one.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]-5H-[1,3]thiazolo[5,4-c][1,7]naphthyridin-4-one
PubChem CID70849610
Molecular FormulaC20H14FN5OS
Molecular Weight391.43 g/mol
Exact Mass391.09
IUPAC Name2-[1-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]-5H-[1,3]thiazolo[5,4-c][1,7]naphthyridin-4-one
SMILESO=c1[nH]c2cnccc2c2nc(-c3ccn(CCc4ccc(F)cc4)n3)sc12
InChIInChI=1S/C20H14FN5OS/c21-13-3-1-12(2-4-13)6-9-26-10-7-15(25-26)20-24-17-14-5-8-22-11-16(14)23-19(27)18(17)28-20/h1-5,7-8,10-11H,6,9H2,(H,23,27)
InChIKeyOBDBEULOCSCQLR-UHFFFAOYSA-N
XLogP3.78
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]-5H-[1,3]thiazolo[5,4-c][1,7]naphthyridin-4-one?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]-5H-[1,3]thiazolo[5,4-c][1,7]naphthyridin-4-one (CID 70849610) is 2-[1-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]-5H-[1,3]thiazolo[5,4-c][1,7]naphthyridin-4-one.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]-5H-[1,3]thiazolo[5,4-c][1,7]naphthyridin-4-one?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]-5H-[1,3]thiazolo[5,4-c][1,7]naphthyridin-4-one is O=c1[nH]c2cnccc2c2nc(-c3ccn(CCc4ccc(F)cc4)n3)sc12.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]-5H-[1,3]thiazolo[5,4-c][1,7]naphthyridin-4-one?
The InChIKey is OBDBEULOCSCQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5OS/c21-13-3-1-12(2-4-13)6-9-26-10-7-15(25-26)20-24-17-14-5-8-22-11-16(14)23-19(27)18(17)28-20/h1-5,7-8,10-11H,6,9H2,(H,23,27).
What are the key properties of 2-[1-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]-5H-[1,3]thiazolo[5,4-c][1,7]naphthyridin-4-one?
2-[1-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]-5H-[1,3]thiazolo[5,4-c][1,7]naphthyridin-4-one has a molecular weight of 391.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]-5H-[1,3]thiazolo[5,4-c][1,7]naphthyridin-4-one is sourced from PubChem (CID 70849610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).