8-phenyl-N-(pyridin-3-ylmethyl)-7-(1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C23H20N6O2S — CID 146072608

About 8-phenyl-N-(pyridin-3-ylmethyl)-7-(1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

8-phenyl-N-(pyridin-3-ylmethyl)-7-(1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 146072608) has the molecular formula C23H20N6O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is 8-phenyl-N-(pyridin-3-ylmethyl)-7-(1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 8-phenyl-N-(pyridin-3-ylmethyl)-7-(1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
• PubChem CID: 146072608
• Molecular Formula: C23H20N6O2S
• Molecular Weight: 444.52 g/mol
• Exact Mass: 444.14
• IUPAC Name: 8-phenyl-N-(pyridin-3-ylmethyl)-7-(1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
• SMILES: O=C(NCc1cccnc1)c1cn2c(n1)C(c1ccccc1)N(C(=O)c1cscn1)CC2
• InChI: InChI=1S/C23H20N6O2S/c30-22(25-12-16-5-4-8-24-11-16)18-13-28-9-10-29(23(31)19-14-32-15-26-19)20(21(28)27-18)17-6-2-1-3-7-17/h1-8,11,13-15,20H,9-10,12H2,(H,25,30)
• InChIKey: MPTADRBVOLOLJP-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.52
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-N-(pyridin-3-ylmethyl)-7-(1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?

The IUPAC name of 8-phenyl-N-(pyridin-3-ylmethyl)-7-(1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 146072608) is 8-phenyl-N-(pyridin-3-ylmethyl)-7-(1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

What is the SMILES notation for 8-phenyl-N-(pyridin-3-ylmethyl)-7-(1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?

The canonical SMILES for 8-phenyl-N-(pyridin-3-ylmethyl)-7-(1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is O=C(NCc1cccnc1)c1cn2c(n1)C(c1ccccc1)N(C(=O)c1cscn1)CC2.

What is the InChIKey of 8-phenyl-N-(pyridin-3-ylmethyl)-7-(1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?

The InChIKey is MPTADRBVOLOLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S/c30-22(25-12-16-5-4-8-24-11-16)18-13-28-9-10-29(23(31)19-14-32-15-26-19)20(21(28)27-18)17-6-2-1-3-7-17/h1-8,11,13-15,20H,9-10,12H2,(H,25,30).

What are the key properties of 8-phenyl-N-(pyridin-3-ylmethyl)-7-(1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?

8-phenyl-N-(pyridin-3-ylmethyl)-7-(1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-phenyl-N-(pyridin-3-ylmethyl)-7-(1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 146072608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).