6-(2-chlorophenyl)-N-[(2R)-2-methoxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide

C21H23ClN4O3 — CID 95867926

IUPAC6-(2-chlorophenyl)-N-[(2R)-2-methoxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NC[C@@H](CC)OC)nc2c1=O
InChIInChI=1S/C21H23ClN4O3/c1-4-10-26-18(15-8-6-7-9-16(15)22)13-25-12-17(24-19(25)21(26)28)20(27)23-11-14(5-2)29-3/h4,6-9,12-14H,1,5,10-11H2,2-3H3,(H,23,27)/t14-/m1/s1
InChIKeyDRNXGIQMSLJFHE-CQSZACIVSA-N
MW414.89 g/mol
LogP3.16
Rot. Bonds8

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

6-(2-chlorophenyl)-N-[(2R)-2-methoxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 95867926) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[(2R)-2-methoxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-[(2R)-2-methoxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID95867926
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name6-(2-chlorophenyl)-N-[(2R)-2-methoxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NC[C@@H](CC)OC)nc2c1=O
InChIInChI=1S/C21H23ClN4O3/c1-4-10-26-18(15-8-6-7-9-16(15)22)13-25-12-17(24-19(25)21(26)28)20(27)23-11-14(5-2)29-3/h4,6-9,12-14H,1,5,10-11H2,2-3H3,(H,23,27)/t14-/m1/s1
InChIKeyDRNXGIQMSLJFHE-CQSZACIVSA-N
XLogP3.16
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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)-1-(methylamino)-1-oxopropan-2-yl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
CID 95897267
6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
CID 70773915
6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
CID 70729541
6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one
CID 95870845
6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one
CID 95869993
6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 70782699
6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
CID 95871310
6-(2-chlorophenyl)-N-(3-methoxypropyl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
CID 70719628
6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-methoxybutyl]-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
CID 95873874
6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
CID 70717371
6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one
CID 70761174

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[(2R)-2-methoxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-N-[(2R)-2-methoxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide (CID 95867926) is 6-(2-chlorophenyl)-N-[(2R)-2-methoxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-N-[(2R)-2-methoxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-N-[(2R)-2-methoxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide is C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NC[C@@H](CC)OC)nc2c1=O.
What is the InChIKey of 6-(2-chlorophenyl)-N-[(2R)-2-methoxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is DRNXGIQMSLJFHE-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-4-10-26-18(15-8-6-7-9-16(15)22)13-25-12-17(24-19(25)21(26)28)20(27)23-11-14(5-2)29-3/h4,6-9,12-14H,1,5,10-11H2,2-3H3,(H,23,27)/t14-/m1/s1.
What are the key properties of 6-(2-chlorophenyl)-N-[(2R)-2-methoxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
6-(2-chlorophenyl)-N-[(2R)-2-methoxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-[(2R)-2-methoxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 95867926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).