3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide

C21H22N8O2 — CID 155209222

About 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide

3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 155209222) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide
• PubChem CID: 155209222
• Molecular Formula: C21H22N8O2
• Molecular Weight: 418.46 g/mol
• Exact Mass: 418.19
• IUPAC Name: 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide
• SMILES: Cc1cnc2ccc(-c3nc(C(=O)NCC4CCCN4)c(N)nc3-c3ncco3)cn12
• InChI: InChI=1S/C21H22N8O2/c1-12-9-25-15-5-4-13(11-29(12)15)16-17(21-24-7-8-31-21)28-19(22)18(27-16)20(30)26-10-14-3-2-6-23-14/h4-5,7-9,11,14,23H,2-3,6,10H2,1H3,(H2,22,28)(H,26,30)
• InChIKey: XOIIWYZETSWYDO-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 136.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.46
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide?

The IUPAC name of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide (CID 155209222) is 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide is Cc1cnc2ccc(-c3nc(C(=O)NCC4CCCN4)c(N)nc3-c3ncco3)cn12.

What is the InChIKey of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide?

The InChIKey is XOIIWYZETSWYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-12-9-25-15-5-4-13(11-29(12)15)16-17(21-24-7-8-31-21)28-19(22)18(27-16)20(30)26-10-14-3-2-6-23-14/h4-5,7-9,11,14,23H,2-3,6,10H2,1H3,(H2,22,28)(H,26,30).

What are the key properties of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide?

3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 155209222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).