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

C18H18N4O3S — CID 70738607

IUPAC7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one
SMILESO=C(c1cn2cc(-c3cccs3)n(CC3CC3)c(=O)c2n1)N1CC(O)C1
InChIInChI=1S/C18H18N4O3S/c23-12-7-21(8-12)17(24)13-9-20-10-14(15-2-1-5-26-15)22(6-11-3-4-11)18(25)16(20)19-13/h1-2,5,9-12,23H,3-4,6-8H2
InChIKeyKHZPCQOMBSAELJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.45
Rot. Bonds4

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

7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one (PubChem CID 70738607) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one
PubChem CID70738607
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one
SMILESO=C(c1cn2cc(-c3cccs3)n(CC3CC3)c(=O)c2n1)N1CC(O)C1
InChIInChI=1S/C18H18N4O3S/c23-12-7-21(8-12)17(24)13-9-20-10-14(15-2-1-5-26-15)22(6-11-3-4-11)18(25)16(20)19-13/h1-2,5,9-12,23H,3-4,6-8H2
InChIKeyKHZPCQOMBSAELJ-UHFFFAOYSA-N
XLogP1.45
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one (CID 70738607) is 7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one is O=C(c1cn2cc(-c3cccs3)n(CC3CC3)c(=O)c2n1)N1CC(O)C1.
What is the InChIKey of 7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one?
The InChIKey is KHZPCQOMBSAELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-12-7-21(8-12)17(24)13-9-20-10-14(15-2-1-5-26-15)22(6-11-3-4-11)18(25)16(20)19-13/h1-2,5,9-12,23H,3-4,6-8H2.
What are the key properties of 7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one?
7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one has a molecular weight of 370.43 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 70738607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).