7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C27H28N4O3 — CID 146072806

IUPAC7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESC#CCCCC(=O)N1CCn2cc(C(=O)NCCOc3ccccc3)nc2C1c1ccccc1
InChIInChI=1S/C27H28N4O3/c1-2-3-6-15-24(32)31-18-17-30-20-23(29-26(30)25(31)21-11-7-4-8-12-21)27(33)28-16-19-34-22-13-9-5-10-14-22/h1,4-5,7-14,20,25H,3,6,15-19H2,(H,28,33)
InChIKeyVYHLZTOLEFVAEL-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.43
Rot. Bonds9

About 7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 146072806) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID146072806
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESC#CCCCC(=O)N1CCn2cc(C(=O)NCCOc3ccccc3)nc2C1c1ccccc1
InChIInChI=1S/C27H28N4O3/c1-2-3-6-15-24(32)31-18-17-30-20-23(29-26(30)25(31)21-11-7-4-8-12-21)27(33)28-16-19-34-22-13-9-5-10-14-22/h1,4-5,7-14,20,25H,3,6,15-19H2,(H,28,33)
InChIKeyVYHLZTOLEFVAEL-UHFFFAOYSA-N
XLogP3.43
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-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

Related Compounds

methyl 3-[[(7-hex-5-ynoyl-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)amino]methyl]benzoate
CID 146072805
formic acid;3-[[[7-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]methyl]benzoic acid
CID 155882575
N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
CID 63049091
N-(2-phenoxyethyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
CID 42690654
1-(azetidin-3-yl)-N-(2-phenoxyethyl)triazole-4-carboxamide
CID 79319023
4-phenoxy-1-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 110400639
6-(3-phenoxypropylamino)pyridine-2-carboxylic acid
CID 62380614
N-hex-5-ynyl-2-phenyltriazole-4-carboxamide
CID 103758153
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
N-hex-5-ynyl-2-phenoxyacetamide
CID 103758132
5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 81315932
6-[(3-phenoxypropylamino)methyl]pyridine-2-carboxylic acid
CID 106904670

Frequently Asked Questions

What is the IUPAC name of 7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 146072806) is 7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is C#CCCCC(=O)N1CCn2cc(C(=O)NCCOc3ccccc3)nc2C1c1ccccc1.
What is the InChIKey of 7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is VYHLZTOLEFVAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-2-3-6-15-24(32)31-18-17-30-20-23(29-26(30)25(31)21-11-7-4-8-12-21)27(33)28-16-19-34-22-13-9-5-10-14-22/h1,4-5,7-14,20,25H,3,6,15-19H2,(H,28,33).
What are the key properties of 7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hex-5-ynoyl-N-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 146072806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).