N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C20H16N4OS — CID 44626046

IUPACN-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(-c4cccs4)cc3)n2n1)C1CC1
InChIInChI=1S/C20H16N4OS/c25-19(15-10-11-15)22-20-21-18-5-1-3-16(24(18)23-20)13-6-8-14(9-7-13)17-4-2-12-26-17/h1-9,12,15H,10-11H2,(H,22,23,25)
InChIKeyXWOVSZIWNIJAQQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.47
Rot. Bonds4

About N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44626046) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44626046
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(-c4cccs4)cc3)n2n1)C1CC1
InChIInChI=1S/C20H16N4OS/c25-19(15-10-11-15)22-20-21-18-5-1-3-16(24(18)23-20)13-6-8-14(9-7-13)17-4-2-12-26-17/h1-9,12,15H,10-11H2,(H,22,23,25)
InChIKeyXWOVSZIWNIJAQQ-UHFFFAOYSA-N
XLogP4.47
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44626046) is N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(-c4cccs4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is XWOVSZIWNIJAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c25-19(15-10-11-15)22-20-21-18-5-1-3-16(24(18)23-20)13-6-8-14(9-7-13)17-4-2-12-26-17/h1-9,12,15H,10-11H2,(H,22,23,25).
What are the key properties of N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 360.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44626046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).