4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C26H22F3N5O2 — CID 58374630

IUPAC4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C26H22F3N5O2/c27-26(28,29)20-12-4-16(5-13-20)14-15-30-23(35)18-8-6-17(7-9-18)21-2-1-3-22-31-25(33-34(21)22)32-24(36)19-10-11-19/h1-9,12-13,19H,10-11,14-15H2,(H,30,35)(H,32,33,36)
InChIKeyHJHDRMGWUGRPSS-UHFFFAOYSA-N
MW493.49 g/mol
LogP4.74
Rot. Bonds7

About 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 58374630) has the molecular formula C26H22F3N5O2 and a molecular weight of 493.49 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID58374630
Molecular FormulaC26H22F3N5O2
Molecular Weight493.49 g/mol
Exact Mass493.17
IUPAC Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C26H22F3N5O2/c27-26(28,29)20-12-4-16(5-13-20)14-15-30-23(35)18-8-6-17(7-9-18)21-2-1-3-22-31-25(33-34(21)22)32-24(36)19-10-11-19/h1-9,12-13,19H,10-11,14-15H2,(H,30,35)(H,32,33,36)
InChIKeyHJHDRMGWUGRPSS-UHFFFAOYSA-N
XLogP4.74
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 54.74
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-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 58374630) is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(NCCc1ccc(C(F)(F)F)cc1)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-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is HJHDRMGWUGRPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O2/c27-26(28,29)20-12-4-16(5-13-20)14-15-30-23(35)18-8-6-17(7-9-18)21-2-1-3-22-31-25(33-34(21)22)32-24(36)19-10-11-19/h1-9,12-13,19H,10-11,14-15H2,(H,30,35)(H,32,33,36).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 493.49 g/mol, XLogP of 4.74, 7 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-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 58374630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).