6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one

C20H19ClN4O3 — CID 70761174

IUPAC6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one
SMILESO=C(c1cn2cc(-c3ccccc3Cl)n(CC3CC3)c(=O)c2n1)N1CC(O)C1
InChIInChI=1S/C20H19ClN4O3/c21-15-4-2-1-3-14(15)17-11-23-10-16(19(27)24-8-13(26)9-24)22-18(23)20(28)25(17)7-12-5-6-12/h1-4,10-13,26H,5-9H2
InChIKeyHPKYQINCSXPFGS-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.04
Rot. Bonds4

About 6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one

6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one (PubChem CID 70761174) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one
PubChem CID70761174
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one
SMILESO=C(c1cn2cc(-c3ccccc3Cl)n(CC3CC3)c(=O)c2n1)N1CC(O)C1
InChIInChI=1S/C20H19ClN4O3/c21-15-4-2-1-3-14(15)17-11-23-10-16(19(27)24-8-13(26)9-24)22-18(23)20(28)25(17)7-12-5-6-12/h1-4,10-13,26H,5-9H2
InChIKeyHPKYQINCSXPFGS-UHFFFAOYSA-N
XLogP2.04
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one (CID 70761174) is 6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one is O=C(c1cn2cc(-c3ccccc3Cl)n(CC3CC3)c(=O)c2n1)N1CC(O)C1.
What is the InChIKey of 6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one?
The InChIKey is HPKYQINCSXPFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c21-15-4-2-1-3-14(15)17-11-23-10-16(19(27)24-8-13(26)9-24)22-18(23)20(28)25(17)7-12-5-6-12/h1-4,10-13,26H,5-9H2.
What are the key properties of 6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one?
6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one has a molecular weight of 398.85 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 70761174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).