[4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone

C32H29N7O3 — CID 78320959

About [4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone

[4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 78320959) has the molecular formula C32H29N7O3 and a molecular weight of 559.63 g/mol. Its IUPAC name is [4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone
• PubChem CID: 78320959
• Molecular Formula: C32H29N7O3
• Molecular Weight: 559.63 g/mol
• Exact Mass: 559.23
• IUPAC Name: [4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone
• SMILES: Cc1ccc(C(=O)N2CCc3c(-c4cn5ccnc5c(Nc5ccc(C(=O)N6CCOCC6)cc5)n4)cccc32)cn1
• InChI: InChI=1S/C32H29N7O3/c1-21-5-6-23(19-34-21)32(41)39-13-11-26-25(3-2-4-28(26)39)27-20-38-14-12-33-30(38)29(36-27)35-24-9-7-22(8-10-24)31(40)37-15-17-42-18-16-37/h2-10,12,14,19-20H,11,13,15-18H2,1H3,(H,35,36)
• InChIKey: URFLWYBIKQCUPM-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 104.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.63
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone?

The IUPAC name of [4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 78320959) is [4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone.

What is the SMILES notation for [4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone?

The canonical SMILES for [4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone is Cc1ccc(C(=O)N2CCc3c(-c4cn5ccnc5c(Nc5ccc(C(=O)N6CCOCC6)cc5)n4)cccc32)cn1.

What is the InChIKey of [4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone?

The InChIKey is URFLWYBIKQCUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N7O3/c1-21-5-6-23(19-34-21)32(41)39-13-11-26-25(3-2-4-28(26)39)27-20-38-14-12-33-30(38)29(36-27)35-24-9-7-22(8-10-24)31(40)37-15-17-42-18-16-37/h2-10,12,14,19-20H,11,13,15-18H2,1H3,(H,35,36).

What are the key properties of [4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone?

[4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 559.63 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 78320959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).