7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide

C18H20N4O3S — CID 70766692

IUPAC7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCN(CCO)C(=O)c1cn2cc(-c3cccs3)n(CC3CC3)c(=O)c2n1
InChIInChI=1S/C18H20N4O3S/c1-20(6-7-23)17(24)13-10-21-11-14(15-3-2-8-26-15)22(9-12-4-5-12)18(25)16(21)19-13/h2-3,8,10-12,23H,4-7,9H2,1H3
InChIKeyIGQPCZXMEWNDIU-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.70
Rot. Bonds6

About 7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide

7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 70766692) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID70766692
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCN(CCO)C(=O)c1cn2cc(-c3cccs3)n(CC3CC3)c(=O)c2n1
InChIInChI=1S/C18H20N4O3S/c1-20(6-7-23)17(24)13-10-21-11-14(15-3-2-8-26-15)22(9-12-4-5-12)18(25)16(21)19-13/h2-3,8,10-12,23H,4-7,9H2,1H3
InChIKeyIGQPCZXMEWNDIU-UHFFFAOYSA-N
XLogP1.70
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide (CID 70766692) is 7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide is CN(CCO)C(=O)c1cn2cc(-c3cccs3)n(CC3CC3)c(=O)c2n1.
What is the InChIKey of 7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is IGQPCZXMEWNDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-20(6-7-23)17(24)13-10-21-11-14(15-3-2-8-26-15)22(9-12-4-5-12)18(25)16(21)19-13/h2-3,8,10-12,23H,4-7,9H2,1H3.
What are the key properties of 7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide?
7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-6-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 70766692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).