7-(5-propan-2-ylthiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C15H18N4O2S — CID 56719838

IUPAC7-(5-propan-2-ylthiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCn3c(C(N)=O)cnc3C2)cs1
InChIInChI=1S/C15H18N4O2S/c1-9(2)12-5-10(8-22-12)15(21)18-3-4-19-11(14(16)20)6-17-13(19)7-18/h5-6,8-9H,3-4,7H2,1-2H3,(H2,16,20)
InChIKeyHEKUHMJKQIAHLL-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.82
Rot. Bonds3

About 7-(5-propan-2-ylthiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

7-(5-propan-2-ylthiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 56719838) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 7-(5-propan-2-ylthiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name7-(5-propan-2-ylthiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID56719838
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name7-(5-propan-2-ylthiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCn3c(C(N)=O)cnc3C2)cs1
InChIInChI=1S/C15H18N4O2S/c1-9(2)12-5-10(8-22-12)15(21)18-3-4-19-11(14(16)20)6-17-13(19)7-18/h5-6,8-9H,3-4,7H2,1-2H3,(H2,16,20)
InChIKeyHEKUHMJKQIAHLL-UHFFFAOYSA-N
XLogP1.82
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-propan-2-ylthiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 7-(5-propan-2-ylthiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 56719838) is 7-(5-propan-2-ylthiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 7-(5-propan-2-ylthiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 7-(5-propan-2-ylthiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is CC(C)c1cc(C(=O)N2CCn3c(C(N)=O)cnc3C2)cs1.
What is the InChIKey of 7-(5-propan-2-ylthiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is HEKUHMJKQIAHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-9(2)12-5-10(8-22-12)15(21)18-3-4-19-11(14(16)20)6-17-13(19)7-18/h5-6,8-9H,3-4,7H2,1-2H3,(H2,16,20).
What are the key properties of 7-(5-propan-2-ylthiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
7-(5-propan-2-ylthiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-propan-2-ylthiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 56719838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).