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

C20H21ClN4O3 — CID 95880903

IUPAC6-(2-chlorophenyl)-N-[(2R)-2-hydroxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NC[C@H](O)CC)nc2c1=O
InChIInChI=1S/C20H21ClN4O3/c1-3-9-25-17(14-7-5-6-8-15(14)21)12-24-11-16(23-18(24)20(25)28)19(27)22-10-13(26)4-2/h3,5-8,11-13,26H,1,4,9-10H2,2H3,(H,22,27)/t13-/m1/s1
InChIKeyOQLGSSIPFLKSKE-CYBMUJFWSA-N
MW400.87 g/mol
LogP2.50
Rot. Bonds7

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

6-(2-chlorophenyl)-N-[(2R)-2-hydroxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 95880903) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[(2R)-2-hydroxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-[(2R)-2-hydroxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID95880903
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name6-(2-chlorophenyl)-N-[(2R)-2-hydroxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NC[C@H](O)CC)nc2c1=O
InChIInChI=1S/C20H21ClN4O3/c1-3-9-25-17(14-7-5-6-8-15(14)21)12-24-11-16(23-18(24)20(25)28)19(27)22-10-13(26)4-2/h3,5-8,11-13,26H,1,4,9-10H2,2H3,(H,22,27)/t13-/m1/s1
InChIKeyOQLGSSIPFLKSKE-CYBMUJFWSA-N
XLogP2.50
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[(2R)-2-hydroxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-N-[(2R)-2-hydroxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide (CID 95880903) is 6-(2-chlorophenyl)-N-[(2R)-2-hydroxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-N-[(2R)-2-hydroxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-N-[(2R)-2-hydroxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide is C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NC[C@H](O)CC)nc2c1=O.
What is the InChIKey of 6-(2-chlorophenyl)-N-[(2R)-2-hydroxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is OQLGSSIPFLKSKE-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-3-9-25-17(14-7-5-6-8-15(14)21)12-24-11-16(23-18(24)20(25)28)19(27)22-10-13(26)4-2/h3,5-8,11-13,26H,1,4,9-10H2,2H3,(H,22,27)/t13-/m1/s1.
What are the key properties of 6-(2-chlorophenyl)-N-[(2R)-2-hydroxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
6-(2-chlorophenyl)-N-[(2R)-2-hydroxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-[(2R)-2-hydroxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 95880903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).