2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide

C25H32N4O4 — CID 146048978

IUPAC2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
SMILESCc1cc(=O)c(O)c(C2(CC(=O)NC(CC(C)C)c3nnc4ccccn34)CCCCC2)o1
InChIInChI=1S/C25H32N4O4/c1-16(2)13-18(24-28-27-20-9-5-8-12-29(20)24)26-21(31)15-25(10-6-4-7-11-25)23-22(32)19(30)14-17(3)33-23/h5,8-9,12,14,16,18,32H,4,6-7,10-11,13,15H2,1-3H3,(H,26,31)
InChIKeyNRQJXPFGBXIVAK-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.19
Rot. Bonds7

About 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide

2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide (PubChem CID 146048978) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
PubChem CID146048978
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
SMILESCc1cc(=O)c(O)c(C2(CC(=O)NC(CC(C)C)c3nnc4ccccn34)CCCCC2)o1
InChIInChI=1S/C25H32N4O4/c1-16(2)13-18(24-28-27-20-9-5-8-12-29(20)24)26-21(31)15-25(10-6-4-7-11-25)23-22(32)19(30)14-17(3)33-23/h5,8-9,12,14,16,18,32H,4,6-7,10-11,13,15H2,1-3H3,(H,26,31)
InChIKeyNRQJXPFGBXIVAK-UHFFFAOYSA-N
XLogP4.19
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?
The IUPAC name of 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide (CID 146048978) is 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide.
What is the SMILES notation for 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?
The canonical SMILES for 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide is Cc1cc(=O)c(O)c(C2(CC(=O)NC(CC(C)C)c3nnc4ccccn34)CCCCC2)o1.
What is the InChIKey of 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?
The InChIKey is NRQJXPFGBXIVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-16(2)13-18(24-28-27-20-9-5-8-12-29(20)24)26-21(31)15-25(10-6-4-7-11-25)23-22(32)19(30)14-17(3)33-23/h5,8-9,12,14,16,18,32H,4,6-7,10-11,13,15H2,1-3H3,(H,26,31).
What are the key properties of 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?
2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide has a molecular weight of 452.56 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide is sourced from PubChem (CID 146048978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).