N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide

C18H20N8O — CID 123305419

IUPACN-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide
SMILESC=CC(=CC)n1cnc(C(=O)NC2CCN(c3nccn4ccnc34)C2)n1
InChIInChI=1S/C18H20N8O/c1-3-14(4-2)26-12-21-15(23-26)18(27)22-13-5-8-25(11-13)17-16-19-6-9-24(16)10-7-20-17/h3-4,6-7,9-10,12-13H,1,5,8,11H2,2H3,(H,22,27)
InChIKeyFNPZVRPUIHYZHA-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.38
Rot. Bonds5

About N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide

N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide (PubChem CID 123305419) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide
PubChem CID123305419
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC NameN-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide
SMILESC=CC(=CC)n1cnc(C(=O)NC2CCN(c3nccn4ccnc34)C2)n1
InChIInChI=1S/C18H20N8O/c1-3-14(4-2)26-12-21-15(23-26)18(27)22-13-5-8-25(11-13)17-16-19-6-9-24(16)10-7-20-17/h3-4,6-7,9-10,12-13H,1,5,8,11H2,2H3,(H,22,27)
InChIKeyFNPZVRPUIHYZHA-UHFFFAOYSA-N
XLogP1.38
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-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-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide (CID 123305419) is N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide is C=CC(=CC)n1cnc(C(=O)NC2CCN(c3nccn4ccnc34)C2)n1.
What is the InChIKey of N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is FNPZVRPUIHYZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-3-14(4-2)26-12-21-15(23-26)18(27)22-13-5-8-25(11-13)17-16-19-6-9-24(16)10-7-20-17/h3-4,6-7,9-10,12-13H,1,5,8,11H2,2H3,(H,22,27).
What are the key properties of N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide?
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 123305419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).