2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-N-(3-phosphanyl-4-pyridinyl)acetamide

C28H30N9OPS — CID 143866236

About 2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-N-(3-phosphanyl-4-pyridinyl)acetamide

2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-N-(3-phosphanyl-4-pyridinyl)acetamide (PubChem CID 143866236) has the molecular formula C28H30N9OPS and a molecular weight of 571.65 g/mol. Its IUPAC name is 2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-N-(3-phosphanyl-4-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-N-(3-phosphanyl-4-pyridinyl)acetamide
• PubChem CID: 143866236
• Molecular Formula: C28H30N9OPS
• Molecular Weight: 571.65 g/mol
• Exact Mass: 571.20
• IUPAC Name: 2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-N-(3-phosphanyl-4-pyridinyl)acetamide
• SMILES: Cc1cn2c(-c3ccnc(CC(=O)Nc4ccncc4P)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
• InChI: InChI=1S/C28H30N9OPS/c1-18-16-37-23(19-5-8-30-20(11-19)12-25(38)33-22-6-7-29-15-24(22)39)14-31-28(37)27(32-18)34-26-13-21(35-40-26)17-36-9-3-2-4-10-36/h5-8,11,13-16H,2-4,9-10,12,17,39H2,1H3,(H,32,34)(H,29,33,38)
• InChIKey: MFUMCRPXBBQRJN-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 113.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.65
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-N-(3-phosphanyl-4-pyridinyl)acetamide?

The IUPAC name of 2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-N-(3-phosphanyl-4-pyridinyl)acetamide (CID 143866236) is 2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-N-(3-phosphanyl-4-pyridinyl)acetamide.

What is the SMILES notation for 2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-N-(3-phosphanyl-4-pyridinyl)acetamide?

The canonical SMILES for 2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-N-(3-phosphanyl-4-pyridinyl)acetamide is Cc1cn2c(-c3ccnc(CC(=O)Nc4ccncc4P)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.

What is the InChIKey of 2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-N-(3-phosphanyl-4-pyridinyl)acetamide?

The InChIKey is MFUMCRPXBBQRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N9OPS/c1-18-16-37-23(19-5-8-30-20(11-19)12-25(38)33-22-6-7-29-15-24(22)39)14-31-28(37)27(32-18)34-26-13-21(35-40-26)17-36-9-3-2-4-10-36/h5-8,11,13-16H,2-4,9-10,12,17,39H2,1H3,(H,32,34)(H,29,33,38).

What are the key properties of 2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-N-(3-phosphanyl-4-pyridinyl)acetamide?

2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-N-(3-phosphanyl-4-pyridinyl)acetamide has a molecular weight of 571.65 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-N-(3-phosphanyl-4-pyridinyl)acetamide is sourced from PubChem (CID 143866236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).