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

C24H18F3N5O2 — CID 58374683

IUPACN-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H18F3N5O2/c25-24(26,27)17-10-6-16(7-11-17)21(33)28-18-12-8-14(9-13-18)19-2-1-3-20-29-23(31-32(19)20)30-22(34)15-4-5-15/h1-3,6-13,15H,4-5H2,(H,28,33)(H,30,31,34)
InChIKeyFZXRZWIMNZZNKA-UHFFFAOYSA-N
MW465.44 g/mol
LogP5.02
Rot. Bonds5

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

N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 58374683) has the molecular formula C24H18F3N5O2 and a molecular weight of 465.44 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID58374683
Molecular FormulaC24H18F3N5O2
Molecular Weight465.44 g/mol
Exact Mass465.14
IUPAC NameN-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H18F3N5O2/c25-24(26,27)17-10-6-16(7-11-17)21(33)28-18-12-8-14(9-13-18)19-2-1-3-20-29-23(31-32(19)20)30-22(34)15-4-5-15/h1-3,6-13,15H,4-5H2,(H,28,33)(H,30,31,34)
InChIKeyFZXRZWIMNZZNKA-UHFFFAOYSA-N
XLogP5.02
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.44
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide (CID 58374683) is N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is FZXRZWIMNZZNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2/c25-24(26,27)17-10-6-16(7-11-17)21(33)28-18-12-8-14(9-13-18)19-2-1-3-20-29-23(31-32(19)20)30-22(34)15-4-5-15/h1-3,6-13,15H,4-5H2,(H,28,33)(H,30,31,34).
What are the key properties of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 465.44 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 58374683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).