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

C27H31N10OPS — CID 143866308

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

2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(6-phosphanyl-2-pyridinyl)acetamide (PubChem CID 143866308) has the molecular formula C27H31N10OPS and a molecular weight of 574.66 g/mol. Its IUPAC name is 2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(6-phosphanyl-2-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(6-phosphanyl-2-pyridinyl)acetamide
• PubChem CID: 143866308
• Molecular Formula: C27H31N10OPS
• Molecular Weight: 574.66 g/mol
• Exact Mass: 574.21
• IUPAC Name: 2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(6-phosphanyl-2-pyridinyl)acetamide
• SMILES: Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(P)n4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
• InChI: InChI=1S/C27H31N10OPS/c1-17-5-4-8-35(12-17)15-20-9-25(40-34-20)33-26-27-28-11-21(37(27)13-18(2)30-26)19-10-29-36(14-19)16-23(38)31-22-6-3-7-24(39)32-22/h3,6-7,9-11,13-14,17H,4-5,8,12,15-16,39H2,1-2H3,(H,30,33)(H,31,32,38)
• InChIKey: UZUPVTSHQRMVGP-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 118.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.66
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(6-phosphanyl-2-pyridinyl)acetamide?

The IUPAC name of 2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(6-phosphanyl-2-pyridinyl)acetamide (CID 143866308) is 2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(6-phosphanyl-2-pyridinyl)acetamide.

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

The canonical SMILES for 2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(6-phosphanyl-2-pyridinyl)acetamide is Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(P)n4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.

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

The InChIKey is UZUPVTSHQRMVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N10OPS/c1-17-5-4-8-35(12-17)15-20-9-25(40-34-20)33-26-27-28-11-21(37(27)13-18(2)30-26)19-10-29-36(14-19)16-23(38)31-22-6-3-7-24(39)32-22/h3,6-7,9-11,13-14,17H,4-5,8,12,15-16,39H2,1-2H3,(H,30,33)(H,31,32,38).

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

2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(6-phosphanyl-2-pyridinyl)acetamide has a molecular weight of 574.66 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(6-phosphanyl-2-pyridinyl)acetamide is sourced from PubChem (CID 143866308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).