7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C16H22N4OS — CID 71838367

IUPAC7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)CN1CCn2cc(C(=O)NCc3cccs3)nc2C1
InChIInChI=1S/C16H22N4OS/c1-12(2)9-19-5-6-20-10-14(18-15(20)11-19)16(21)17-8-13-4-3-7-22-13/h3-4,7,10,12H,5-6,8-9,11H2,1-2H3,(H,17,21)
InChIKeyUOJVXGAFLRXLNP-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.35
Rot. Bonds5

About 7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 71838367) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID71838367
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)CN1CCn2cc(C(=O)NCc3cccs3)nc2C1
InChIInChI=1S/C16H22N4OS/c1-12(2)9-19-5-6-20-10-14(18-15(20)11-19)16(21)17-8-13-4-3-7-22-13/h3-4,7,10,12H,5-6,8-9,11H2,1-2H3,(H,17,21)
InChIKeyUOJVXGAFLRXLNP-UHFFFAOYSA-N
XLogP2.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 71838367) is 7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is CC(C)CN1CCn2cc(C(=O)NCc3cccs3)nc2C1.
What is the InChIKey of 7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is UOJVXGAFLRXLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12(2)9-19-5-6-20-10-14(18-15(20)11-19)16(21)17-8-13-4-3-7-22-13/h3-4,7,10,12H,5-6,8-9,11H2,1-2H3,(H,17,21).
What are the key properties of 7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 71838367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).