1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-1-one

C29H29N9O2 — CID 159246737

About 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-1-one

1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-1-one (PubChem CID 159246737) has the molecular formula C29H29N9O2 and a molecular weight of 535.61 g/mol. Its IUPAC name is 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-1-one.

Molecular Properties

• Compound Name: 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-1-one
• PubChem CID: 159246737
• Molecular Formula: C29H29N9O2
• Molecular Weight: 535.61 g/mol
• Exact Mass: 535.24
• IUPAC Name: 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-1-one
• SMILES: Cc1cnc2ccc(-c3nc(C(=O)CCc4cccc(N5CC6(CN(C)C6)C5)n4)c(N)nc3-c3ncco3)cn12
• InChI: InChI=1S/C29H29N9O2/c1-18-12-32-22-9-6-19(13-38(18)22)24-26(28-31-10-11-40-28)35-27(30)25(34-24)21(39)8-7-20-4-3-5-23(33-20)37-16-29(17-37)14-36(2)15-29/h3-6,9-13H,7-8,14-17H2,1-2H3,(H2,30,35)
• InChIKey: KUTUBFSMLIUUIF-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 131.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.61
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-1-one?

The IUPAC name of 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-1-one (CID 159246737) is 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-1-one.

What is the SMILES notation for 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-1-one?

The canonical SMILES for 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-1-one is Cc1cnc2ccc(-c3nc(C(=O)CCc4cccc(N5CC6(CN(C)C6)C5)n4)c(N)nc3-c3ncco3)cn12.

What is the InChIKey of 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-1-one?

The InChIKey is KUTUBFSMLIUUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N9O2/c1-18-12-32-22-9-6-19(13-38(18)22)24-26(28-31-10-11-40-28)35-27(30)25(34-24)21(39)8-7-20-4-3-5-23(33-20)37-16-29(17-37)14-36(2)15-29/h3-6,9-13H,7-8,14-17H2,1-2H3,(H2,30,35).

What are the key properties of 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-1-one?

1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-1-one has a molecular weight of 535.61 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-1-one is sourced from PubChem (CID 159246737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).