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

C25H22FN5O2 — CID 58374773

IUPAC4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-3-fluoro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)c(F)c1
InChIInChI=1S/C25H22FN5O2/c26-20-15-18(23(32)27-14-13-16-5-2-1-3-6-16)11-12-19(20)21-7-4-8-22-28-25(30-31(21)22)29-24(33)17-9-10-17/h1-8,11-12,15,17H,9-10,13-14H2,(H,27,32)(H,29,30,33)
InChIKeyWBGODENGKKFRFD-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.86
Rot. Bonds7

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

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-3-fluoro-N-(2-phenylethyl)benzamide (PubChem CID 58374773) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-3-fluoro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-3-fluoro-N-(2-phenylethyl)benzamide
PubChem CID58374773
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-3-fluoro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)c(F)c1
InChIInChI=1S/C25H22FN5O2/c26-20-15-18(23(32)27-14-13-16-5-2-1-3-6-16)11-12-19(20)21-7-4-8-22-28-25(30-31(21)22)29-24(33)17-9-10-17/h1-8,11-12,15,17H,9-10,13-14H2,(H,27,32)(H,29,30,33)
InChIKeyWBGODENGKKFRFD-UHFFFAOYSA-N
XLogP3.86
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.86
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]-3-fluoro-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-3-fluoro-N-(2-phenylethyl)benzamide (CID 58374773) is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-3-fluoro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-3-fluoro-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-3-fluoro-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)c(F)c1.
What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-3-fluoro-N-(2-phenylethyl)benzamide?
The InChIKey is WBGODENGKKFRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c26-20-15-18(23(32)27-14-13-16-5-2-1-3-6-16)11-12-19(20)21-7-4-8-22-28-25(30-31(21)22)29-24(33)17-9-10-17/h1-8,11-12,15,17H,9-10,13-14H2,(H,27,32)(H,29,30,33).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-3-fluoro-N-(2-phenylethyl)benzamide?
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-3-fluoro-N-(2-phenylethyl)benzamide has a molecular weight of 443.48 g/mol, XLogP of 3.86, 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]-3-fluoro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 58374773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).