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

C33H29FN6O3 — CID 78320637

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

[4-[[6-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 78320637) has the molecular formula C33H29FN6O3 and a molecular weight of 576.63 g/mol. Its IUPAC name is [4-[[6-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [4-[[6-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone
• PubChem CID: 78320637
• Molecular Formula: C33H29FN6O3
• Molecular Weight: 576.63 g/mol
• Exact Mass: 576.23
• IUPAC Name: [4-[[6-[1-(3-fluoro-4-methylbenzoyl)-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)cc1F
• InChI: InChI=1S/C33H29FN6O3/c1-21-5-6-23(19-27(21)34)33(42)40-13-11-26-25(3-2-4-29(26)40)28-20-39-14-12-35-31(39)30(37-28)36-24-9-7-22(8-10-24)32(41)38-15-17-43-18-16-38/h2-10,12,14,19-20H,11,13,15-18H2,1H3,(H,36,37)
• InChIKey: VXOWJJRABGSVQK-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 92.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.63
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [4-[[6-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 78320637) is [4-[[6-[1-(3-fluoro-4-methylbenzoyl)-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-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone?

The canonical SMILES for [4-[[6-[1-(3-fluoro-4-methylbenzoyl)-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)cc1F.

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

The InChIKey is VXOWJJRABGSVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN6O3/c1-21-5-6-23(19-27(21)34)33(42)40-13-11-26-25(3-2-4-29(26)40)28-20-39-14-12-35-31(39)30(37-28)36-24-9-7-22(8-10-24)32(41)38-15-17-43-18-16-38/h2-10,12,14,19-20H,11,13,15-18H2,1H3,(H,36,37).

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

[4-[[6-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 576.63 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[6-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 78320637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).