4-fluoro-N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide

C22H19FN4O — CID 71818863

IUPAC4-fluoro-N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide
SMILESCC(C)c1cccc(-c2cccc3nc(NC(=O)c4ccc(F)cc4)nn23)c1
InChIInChI=1S/C22H19FN4O/c1-14(2)16-5-3-6-17(13-16)19-7-4-8-20-24-22(26-27(19)20)25-21(28)15-9-11-18(23)12-10-15/h3-14H,1-2H3,(H,25,26,28)
InChIKeyQDUNALIVEOSYBB-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.91
Rot. Bonds4

About 4-fluoro-N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide

4-fluoro-N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide (PubChem CID 71818863) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-fluoro-N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide
PubChem CID71818863
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name4-fluoro-N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide
SMILESCC(C)c1cccc(-c2cccc3nc(NC(=O)c4ccc(F)cc4)nn23)c1
InChIInChI=1S/C22H19FN4O/c1-14(2)16-5-3-6-17(13-16)19-7-4-8-20-24-22(26-27(19)20)25-21(28)15-9-11-18(23)12-10-15/h3-14H,1-2H3,(H,25,26,28)
InChIKeyQDUNALIVEOSYBB-UHFFFAOYSA-N
XLogP4.91
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide (CID 71818863) is 4-fluoro-N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide is CC(C)c1cccc(-c2cccc3nc(NC(=O)c4ccc(F)cc4)nn23)c1.
What is the InChIKey of 4-fluoro-N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide?
The InChIKey is QDUNALIVEOSYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-14(2)16-5-3-6-17(13-16)19-7-4-8-20-24-22(26-27(19)20)25-21(28)15-9-11-18(23)12-10-15/h3-14H,1-2H3,(H,25,26,28).
What are the key properties of 4-fluoro-N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide?
4-fluoro-N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide has a molecular weight of 374.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 71818863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).