4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(3-fluorophenyl)methyl]benzamide

C24H20FN5O2 — CID 58374850

IUPAC4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C24H20FN5O2/c25-19-4-1-3-15(13-19)14-26-22(31)17-9-7-16(8-10-17)20-5-2-6-21-27-24(29-30(20)21)28-23(32)18-11-12-18/h1-10,13,18H,11-12,14H2,(H,26,31)(H,28,29,32)
InChIKeyQXPXHVGWDQFSMM-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.81
Rot. Bonds6

About 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(3-fluorophenyl)methyl]benzamide

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 58374850) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID58374850
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C24H20FN5O2/c25-19-4-1-3-15(13-19)14-26-22(31)17-9-7-16(8-10-17)20-5-2-6-21-27-24(29-30(20)21)28-23(32)18-11-12-18/h1-10,13,18H,11-12,14H2,(H,26,31)(H,28,29,32)
InChIKeyQXPXHVGWDQFSMM-UHFFFAOYSA-N
XLogP3.81
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(3-fluorophenyl)methyl]benzamide (CID 58374850) is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(3-fluorophenyl)methyl]benzamide is O=C(NCc1cccc(F)c1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.
What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is QXPXHVGWDQFSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c25-19-4-1-3-15(13-19)14-26-22(31)17-9-7-16(8-10-17)20-5-2-6-21-27-24(29-30(20)21)28-23(32)18-11-12-18/h1-10,13,18H,11-12,14H2,(H,26,31)(H,28,29,32).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(3-fluorophenyl)methyl]benzamide?
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 429.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 58374850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).