7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

C18H25N5O2S — CID 133141067

About 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 133141067) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 133141067
• Molecular Formula: C18H25N5O2S
• Molecular Weight: 375.50 g/mol
• Exact Mass: 375.17
• IUPAC Name: 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
• SMILES: Cc1nc(CN2Cc3cncn3C(C(=O)NCC3CCOCC3)C2)cs1
• InChI: InChI=1S/C18H25N5O2S/c1-13-21-15(11-26-13)8-22-9-16-7-19-12-23(16)17(10-22)18(24)20-6-14-2-4-25-5-3-14/h7,11-12,14,17H,2-6,8-10H2,1H3,(H,20,24)
• InChIKey: IYHBFGSOOBEWCW-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.50
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (CID 133141067) is 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.

What is the SMILES notation for 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is Cc1nc(CN2Cc3cncn3C(C(=O)NCC3CCOCC3)C2)cs1.

What is the InChIKey of 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?

The InChIKey is IYHBFGSOOBEWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-13-21-15(11-26-13)8-22-9-16-7-19-12-23(16)17(10-22)18(24)20-6-14-2-4-25-5-3-14/h7,11-12,14,17H,2-6,8-10H2,1H3,(H,20,24).

What are the key properties of 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?

7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 133141067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).