N-[[5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)thiophen-2-yl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

C32H33N9O3S — CID 162374373

About N-[[5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)thiophen-2-yl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

N-[[5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)thiophen-2-yl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 162374373) has the molecular formula C32H33N9O3S and a molecular weight of 623.74 g/mol. Its IUPAC name is N-[[5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)thiophen-2-yl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)thiophen-2-yl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
• PubChem CID: 162374373
• Molecular Formula: C32H33N9O3S
• Molecular Weight: 623.74 g/mol
• Exact Mass: 623.24
• IUPAC Name: N-[[5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)thiophen-2-yl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
• SMILES: CC(=O)N1c2ccc(-c3ccc(CNC(=O)c4cn5cc(-c6cnc(N)nc6)nc(N6CCOCC6)c5n4)s3)cc2CCC1C
• InChI: InChI=1S/C32H33N9O3S/c1-19-3-4-21-13-22(5-7-27(21)41(19)20(2)42)28-8-6-24(45-28)16-34-31(43)26-18-40-17-25(23-14-35-32(33)36-15-23)37-29(30(40)38-26)39-9-11-44-12-10-39/h5-8,13-15,17-19H,3-4,9-12,16H2,1-2H3,(H,34,43)(H2,33,35,36)
• InChIKey: JBSITJQWGCNSHL-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 143.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.74
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)thiophen-2-yl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?

The IUPAC name of N-[[5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)thiophen-2-yl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (CID 162374373) is N-[[5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)thiophen-2-yl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.

What is the SMILES notation for N-[[5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)thiophen-2-yl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?

The canonical SMILES for N-[[5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)thiophen-2-yl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is CC(=O)N1c2ccc(-c3ccc(CNC(=O)c4cn5cc(-c6cnc(N)nc6)nc(N6CCOCC6)c5n4)s3)cc2CCC1C.

What is the InChIKey of N-[[5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)thiophen-2-yl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?

The InChIKey is JBSITJQWGCNSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N9O3S/c1-19-3-4-21-13-22(5-7-27(21)41(19)20(2)42)28-8-6-24(45-28)16-34-31(43)26-18-40-17-25(23-14-35-32(33)36-15-23)37-29(30(40)38-26)39-9-11-44-12-10-39/h5-8,13-15,17-19H,3-4,9-12,16H2,1-2H3,(H,34,43)(H2,33,35,36).

What are the key properties of N-[[5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)thiophen-2-yl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?

N-[[5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)thiophen-2-yl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 623.74 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)thiophen-2-yl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 162374373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).