1-[5-(3-acetylphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-cyclopentylcyclopropane-1-carboxamide

C24H26N4O3 — CID 177379891

IUPAC1-[5-(3-acetylphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-cyclopentylcyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cccc(C(C)=O)c2)n2nc(C3(C(=O)NC4CCCC4)CC3)nc12
InChIInChI=1S/C24H26N4O3/c1-15(29)16-6-5-7-17(14-16)19-10-11-20(31-2)21-26-22(27-28(19)21)24(12-13-24)23(30)25-18-8-3-4-9-18/h5-7,10-11,14,18H,3-4,8-9,12-13H2,1-2H3,(H,25,30)
InChIKeyRPANJRSUUFSQJU-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.70
Rot. Bonds6

About 1-[5-(3-acetylphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-cyclopentylcyclopropane-1-carboxamide

1-[5-(3-acetylphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-cyclopentylcyclopropane-1-carboxamide (PubChem CID 177379891) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[5-(3-acetylphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-cyclopentylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(3-acetylphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-cyclopentylcyclopropane-1-carboxamide
PubChem CID177379891
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-[5-(3-acetylphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-cyclopentylcyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cccc(C(C)=O)c2)n2nc(C3(C(=O)NC4CCCC4)CC3)nc12
InChIInChI=1S/C24H26N4O3/c1-15(29)16-6-5-7-17(14-16)19-10-11-20(31-2)21-26-22(27-28(19)21)24(12-13-24)23(30)25-18-8-3-4-9-18/h5-7,10-11,14,18H,3-4,8-9,12-13H2,1-2H3,(H,25,30)
InChIKeyRPANJRSUUFSQJU-UHFFFAOYSA-N
XLogP3.70
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-acetylphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-cyclopentylcyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(3-acetylphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-cyclopentylcyclopropane-1-carboxamide (CID 177379891) is 1-[5-(3-acetylphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-cyclopentylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(3-acetylphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-cyclopentylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(3-acetylphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-cyclopentylcyclopropane-1-carboxamide is COc1ccc(-c2cccc(C(C)=O)c2)n2nc(C3(C(=O)NC4CCCC4)CC3)nc12.
What is the InChIKey of 1-[5-(3-acetylphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-cyclopentylcyclopropane-1-carboxamide?
The InChIKey is RPANJRSUUFSQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-15(29)16-6-5-7-17(14-16)19-10-11-20(31-2)21-26-22(27-28(19)21)24(12-13-24)23(30)25-18-8-3-4-9-18/h5-7,10-11,14,18H,3-4,8-9,12-13H2,1-2H3,(H,25,30).
What are the key properties of 1-[5-(3-acetylphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-cyclopentylcyclopropane-1-carboxamide?
1-[5-(3-acetylphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-cyclopentylcyclopropane-1-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-acetylphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-cyclopentylcyclopropane-1-carboxamide is sourced from PubChem (CID 177379891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).