3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C28H29N9O2 — CID 155209317

About 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 155209317) has the molecular formula C28H29N9O2 and a molecular weight of 523.60 g/mol. Its IUPAC name is 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
• PubChem CID: 155209317
• Molecular Formula: C28H29N9O2
• Molecular Weight: 523.60 g/mol
• Exact Mass: 523.24
• IUPAC Name: 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
• SMILES: Cc1cnc2ccc(-c3nc(C(=O)NCc4cccc(C5CCN(C)CC5)n4)c(N)nc3-c3ncco3)cn12
• InChI: InChI=1S/C28H29N9O2/c1-17-14-31-22-7-6-19(16-37(17)22)23-24(28-30-10-13-39-28)35-26(29)25(34-23)27(38)32-15-20-4-3-5-21(33-20)18-8-11-36(2)12-9-18/h3-7,10,13-14,16,18H,8-9,11-12,15H2,1-2H3,(H2,29,35)(H,32,38)
• InChIKey: OKTYVVTUPJQJPT-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 140.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.60
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

The IUPAC name of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 155209317) is 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1cnc2ccc(-c3nc(C(=O)NCc4cccc(C5CCN(C)CC5)n4)c(N)nc3-c3ncco3)cn12.

What is the InChIKey of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

The InChIKey is OKTYVVTUPJQJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N9O2/c1-17-14-31-22-7-6-19(16-37(17)22)23-24(28-30-10-13-39-28)35-26(29)25(34-23)27(38)32-15-20-4-3-5-21(33-20)18-8-11-36(2)12-9-18/h3-7,10,13-14,16,18H,8-9,11-12,15H2,1-2H3,(H2,29,35)(H,32,38).

What are the key properties of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 523.60 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155209317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).