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

C34H35N9O3 — CID 162374488

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

N-[[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 162374488) has the molecular formula C34H35N9O3 and a molecular weight of 617.71 g/mol. Its IUPAC name is N-[[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
• PubChem CID: 162374488
• Molecular Formula: C34H35N9O3
• Molecular Weight: 617.71 g/mol
• Exact Mass: 617.29
• IUPAC Name: N-[[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
• SMILES: CC(=O)N1c2ccc(-c3cccc(CNC(=O)c4cn5cc(-c6cnc(N)nc6)nc(N6CCOCC6)c5n4)c3)cc2CC[C@@H]1C
• InChI: InChI=1S/C34H35N9O3/c1-21-6-7-26-15-25(8-9-30(26)43(21)22(2)44)24-5-3-4-23(14-24)16-36-33(45)29-20-42-19-28(27-17-37-34(35)38-18-27)39-31(32(42)40-29)41-10-12-46-13-11-41/h3-5,8-9,14-15,17-21H,6-7,10-13,16H2,1-2H3,(H,36,45)(H2,35,37,38)/t21-/m0/s1
• InChIKey: FDMDKEHXNRULJR-NRFANRHFSA-N
• XLogP: 3.89
• TPSA: 143.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.71
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (CID 162374488) is N-[[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.

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

The canonical SMILES for N-[[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is CC(=O)N1c2ccc(-c3cccc(CNC(=O)c4cn5cc(-c6cnc(N)nc6)nc(N6CCOCC6)c5n4)c3)cc2CC[C@@H]1C.

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

The InChIKey is FDMDKEHXNRULJR-NRFANRHFSA-N. The full InChI is InChI=1S/C34H35N9O3/c1-21-6-7-26-15-25(8-9-30(26)43(21)22(2)44)24-5-3-4-23(14-24)16-36-33(45)29-20-42-19-28(27-17-37-34(35)38-18-27)39-31(32(42)40-29)41-10-12-46-13-11-41/h3-5,8-9,14-15,17-21H,6-7,10-13,16H2,1-2H3,(H,36,45)(H2,35,37,38)/t21-/m0/s1.

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

N-[[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 617.71 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 162374488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).