[4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone

C36H34N6O3 — CID 78320014

About [4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone

[4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 78320014) has the molecular formula C36H34N6O3 and a molecular weight of 598.71 g/mol. Its IUPAC name is [4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone
• PubChem CID: 78320014
• Molecular Formula: C36H34N6O3
• Molecular Weight: 598.71 g/mol
• Exact Mass: 598.27
• IUPAC Name: [4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone
• SMILES: CC(C)(C)c1ccc(C(=O)n2ccc3c(-c4cn5ccnc5c(Nc5ccc(C(=O)N6CCOCC6)cc5)n4)cccc32)cc1
• InChI: InChI=1S/C36H34N6O3/c1-36(2,3)26-11-7-25(8-12-26)35(44)42-17-15-29-28(5-4-6-31(29)42)30-23-41-18-16-37-33(41)32(39-30)38-27-13-9-24(10-14-27)34(43)40-19-21-45-22-20-40/h4-18,23H,19-22H2,1-3H3,(H,38,39)
• InChIKey: RWKZAWMPLGVXPW-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 93.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.71
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone?

The IUPAC name of [4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 78320014) is [4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone.

What is the SMILES notation for [4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone?

The canonical SMILES for [4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone is CC(C)(C)c1ccc(C(=O)n2ccc3c(-c4cn5ccnc5c(Nc5ccc(C(=O)N6CCOCC6)cc5)n4)cccc32)cc1.

What is the InChIKey of [4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone?

The InChIKey is RWKZAWMPLGVXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N6O3/c1-36(2,3)26-11-7-25(8-12-26)35(44)42-17-15-29-28(5-4-6-31(29)42)30-23-41-18-16-37-33(41)32(39-30)38-27-13-9-24(10-14-27)34(43)40-19-21-45-22-20-40/h4-18,23H,19-22H2,1-3H3,(H,38,39).

What are the key properties of [4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone?

[4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 598.71 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 78320014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).