N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

C23H25N5O3 — CID 169413685

IUPACN-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCC2(CC1)CC2NC(=O)c1cccc2ncnn12
InChIInChI=1S/C23H25N5O3/c1-31-18-7-3-2-5-16(18)13-21(29)27-11-9-23(10-12-27)14-19(23)26-22(30)17-6-4-8-20-24-15-25-28(17)20/h2-8,15,19H,9-14H2,1H3,(H,26,30)
InChIKeyFSDSYMRJOVAYLJ-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.09
Rot. Bonds5

About N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 169413685) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
PubChem CID169413685
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCC2(CC1)CC2NC(=O)c1cccc2ncnn12
InChIInChI=1S/C23H25N5O3/c1-31-18-7-3-2-5-16(18)13-21(29)27-11-9-23(10-12-27)14-19(23)26-22(30)17-6-4-8-20-24-15-25-28(17)20/h2-8,15,19H,9-14H2,1H3,(H,26,30)
InChIKeyFSDSYMRJOVAYLJ-UHFFFAOYSA-N
XLogP2.09
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide with MolForge

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Related Compounds

6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119128135
2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide
CID 67129577
2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110114408
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
2-(2-methoxyphenyl)-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70718807
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72849634
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121
N-cyclopropyl-3-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 24790876
1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide
CID 171681695
2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691
2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 38785944

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (CID 169413685) is N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is COc1ccccc1CC(=O)N1CCC2(CC1)CC2NC(=O)c1cccc2ncnn12.
What is the InChIKey of N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is FSDSYMRJOVAYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-31-18-7-3-2-5-16(18)13-21(29)27-11-9-23(10-12-27)14-19(23)26-22(30)17-6-4-8-20-24-15-25-28(17)20/h2-8,15,19H,9-14H2,1H3,(H,26,30).
What are the key properties of N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 169413685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).