N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide

C21H23N5O2 — CID 167833531

IUPACN-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)C1CC12CCCNC2
InChIInChI=1S/C21H23N5O2/c27-19(17-12-21(17)8-4-9-22-14-21)23-16-6-3-5-15(11-16)13-26-20(28)25-10-2-1-7-18(25)24-26/h1-3,5-7,10-11,17,22H,4,8-9,12-14H2,(H,23,27)
InChIKeyWSQUMRZDNNYLJT-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.87
Rot. Bonds4

About N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide

N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide (PubChem CID 167833531) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide
PubChem CID167833531
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)C1CC12CCCNC2
InChIInChI=1S/C21H23N5O2/c27-19(17-12-21(17)8-4-9-22-14-21)23-16-6-3-5-15(11-16)13-26-20(28)25-10-2-1-7-18(25)24-26/h1-3,5-7,10-11,17,22H,4,8-9,12-14H2,(H,23,27)
InChIKeyWSQUMRZDNNYLJT-UHFFFAOYSA-N
XLogP1.87
TPSA80.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide 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 N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide (CID 167833531) is N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide is O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)C1CC12CCCNC2.
What is the InChIKey of N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is WSQUMRZDNNYLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-19(17-12-21(17)8-4-9-22-14-21)23-16-6-3-5-15(11-16)13-26-20(28)25-10-2-1-7-18(25)24-26/h1-3,5-7,10-11,17,22H,4,8-9,12-14H2,(H,23,27).
What are the key properties of N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide?
N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 167833531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).