N,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide

C20H24N4O2 — CID 156692775

IUPACN,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
SMILESCCN(CC)C(=O)N1CCn2c(C#Cc3cccc(OC)c3)cnc2C1
InChIInChI=1S/C20H24N4O2/c1-4-22(5-2)20(25)23-11-12-24-17(14-21-19(24)15-23)10-9-16-7-6-8-18(13-16)26-3/h6-8,13-14H,4-5,11-12,15H2,1-3H3
InChIKeyBUUWCVOHEYSOPM-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.57
Rot. Bonds3

About N,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide

N,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide (PubChem CID 156692775) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
PubChem CID156692775
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
SMILESCCN(CC)C(=O)N1CCn2c(C#Cc3cccc(OC)c3)cnc2C1
InChIInChI=1S/C20H24N4O2/c1-4-22(5-2)20(25)23-11-12-24-17(14-21-19(24)15-23)10-9-16-7-6-8-18(13-16)26-3/h6-8,13-14H,4-5,11-12,15H2,1-3H3
InChIKeyBUUWCVOHEYSOPM-UHFFFAOYSA-N
XLogP2.57
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide (CID 156692775) is N,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide is CCN(CC)C(=O)N1CCn2c(C#Cc3cccc(OC)c3)cnc2C1.
What is the InChIKey of N,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is BUUWCVOHEYSOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-4-22(5-2)20(25)23-11-12-24-17(14-21-19(24)15-23)10-9-16-7-6-8-18(13-16)26-3/h6-8,13-14H,4-5,11-12,15H2,1-3H3.
What are the key properties of N,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
N,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-(3-methoxyphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 156692775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).