4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide

C19H14FN5O — CID 122184274

IUPAC4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide
SMILESCn1cc(-c2cnc3ccnc(NC(=O)c4ccc(F)cc4)c3c2)cn1
InChIInChI=1S/C19H14FN5O/c1-25-11-14(10-23-25)13-8-16-17(22-9-13)6-7-21-18(16)24-19(26)12-2-4-15(20)5-3-12/h2-11H,1H3,(H,21,24,26)
InChIKeyFKBTZWJUXCFBHP-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.42
Rot. Bonds3

About 4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide

4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide (PubChem CID 122184274) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide
PubChem CID122184274
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide
SMILESCn1cc(-c2cnc3ccnc(NC(=O)c4ccc(F)cc4)c3c2)cn1
InChIInChI=1S/C19H14FN5O/c1-25-11-14(10-23-25)13-8-16-17(22-9-13)6-7-21-18(16)24-19(26)12-2-4-15(20)5-3-12/h2-11H,1H3,(H,21,24,26)
InChIKeyFKBTZWJUXCFBHP-UHFFFAOYSA-N
XLogP3.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide (CID 122184274) is 4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide is Cn1cc(-c2cnc3ccnc(NC(=O)c4ccc(F)cc4)c3c2)cn1.
What is the InChIKey of 4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide?
The InChIKey is FKBTZWJUXCFBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c1-25-11-14(10-23-25)13-8-16-17(22-9-13)6-7-21-18(16)24-19(26)12-2-4-15(20)5-3-12/h2-11H,1H3,(H,21,24,26).
What are the key properties of 4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide?
4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide has a molecular weight of 347.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide is sourced from PubChem (CID 122184274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).