2-[4-[(5-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-methylpropanamide

C25H31N9O2S — CID 59606029

About 2-[4-[(5-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-methylpropanamide

2-[4-[(5-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-methylpropanamide (PubChem CID 59606029) has the molecular formula C25H31N9O2S and a molecular weight of 521.65 g/mol. Its IUPAC name is 2-[4-[(5-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-[4-[(5-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-methylpropanamide
• PubChem CID: 59606029
• Molecular Formula: C25H31N9O2S
• Molecular Weight: 521.65 g/mol
• Exact Mass: 521.23
• IUPAC Name: 2-[4-[(5-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-methylpropanamide
• SMILES: CC(C)(C(N)=O)N1CCN(Cc2nc3nc(-c4cccc5nccn45)nc(N4CCOCC4)c3s2)CC1
• InChI: InChI=1S/C25H31N9O2S/c1-25(2,24(26)35)33-10-8-31(9-11-33)16-19-28-22-20(37-19)23(32-12-14-36-15-13-32)30-21(29-22)17-4-3-5-18-27-6-7-34(17)18/h3-7H,8-16H2,1-2H3,(H2,26,35)
• InChIKey: FZSNURBLQLBNKE-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 118.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.65
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-methylpropanamide?

The IUPAC name of 2-[4-[(5-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-methylpropanamide (CID 59606029) is 2-[4-[(5-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-methylpropanamide.

What is the SMILES notation for 2-[4-[(5-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-methylpropanamide?

The canonical SMILES for 2-[4-[(5-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-methylpropanamide is CC(C)(C(N)=O)N1CCN(Cc2nc3nc(-c4cccc5nccn45)nc(N4CCOCC4)c3s2)CC1.

What is the InChIKey of 2-[4-[(5-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-methylpropanamide?

The InChIKey is FZSNURBLQLBNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N9O2S/c1-25(2,24(26)35)33-10-8-31(9-11-33)16-19-28-22-20(37-19)23(32-12-14-36-15-13-32)30-21(29-22)17-4-3-5-18-27-6-7-34(17)18/h3-7H,8-16H2,1-2H3,(H2,26,35).

What are the key properties of 2-[4-[(5-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-methylpropanamide?

2-[4-[(5-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-methylpropanamide has a molecular weight of 521.65 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(5-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 59606029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).