6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide

C20H17ClN6O2 — CID 70773915

IUPAC6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NCc3ncc[nH]3)nc2c1=O
InChIInChI=1S/C20H17ClN6O2/c1-2-9-27-16(13-5-3-4-6-14(13)21)12-26-11-15(25-18(26)20(27)29)19(28)24-10-17-22-7-8-23-17/h2-8,11-12H,1,9-10H2,(H,22,23)(H,24,28)
InChIKeySTMHUBBQPNSKBY-UHFFFAOYSA-N
MW408.85 g/mol
LogP2.66
Rot. Bonds6

About 6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide

6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 70773915) has the molecular formula C20H17ClN6O2 and a molecular weight of 408.85 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID70773915
Molecular FormulaC20H17ClN6O2
Molecular Weight408.85 g/mol
Exact Mass408.11
IUPAC Name6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NCc3ncc[nH]3)nc2c1=O
InChIInChI=1S/C20H17ClN6O2/c1-2-9-27-16(13-5-3-4-6-14(13)21)12-26-11-15(25-18(26)20(27)29)19(28)24-10-17-22-7-8-23-17/h2-8,11-12H,1,9-10H2,(H,22,23)(H,24,28)
InChIKeySTMHUBBQPNSKBY-UHFFFAOYSA-N
XLogP2.66
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[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

6-(2-chlorophenyl)-N-[(2R)-2-hydroxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
CID 95880903
6-(2-chlorophenyl)-N-[(2R)-2-methoxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
CID 95867926
6-(2-chlorophenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
CID 95897267
6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one
CID 95869993
6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
CID 70717371
6-(2-chlorophenyl)-N-(3-methoxypropyl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
CID 70719628
6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
CID 70729541
1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
CID 22439180
6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 70782699
6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one
CID 70761174
6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide
CID 64523807
2-chloro-6-(1H-imidazol-2-ylmethylcarbamoylamino)benzoic acid
CID 64525317

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide (CID 70773915) is 6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide is C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NCc3ncc[nH]3)nc2c1=O.
What is the InChIKey of 6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is STMHUBBQPNSKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O2/c1-2-9-27-16(13-5-3-4-6-14(13)21)12-26-11-15(25-18(26)20(27)29)19(28)24-10-17-22-7-8-23-17/h2-8,11-12H,1,9-10H2,(H,22,23)(H,24,28).
What are the key properties of 6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 408.85 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 70773915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).