tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate

C32H38N6O4 — CID 150914196

About tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate (PubChem CID 150914196) has the molecular formula C32H38N6O4 and a molecular weight of 570.69 g/mol. Its IUPAC name is tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate
• PubChem CID: 150914196
• Molecular Formula: C32H38N6O4
• Molecular Weight: 570.69 g/mol
• Exact Mass: 570.30
• IUPAC Name: tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate
• SMILES: COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(CNC(=O)OC(C)(C)C)CC5)c(C)c4)nccn23)cc1
• InChI: InChI=1S/C32H38N6O4/c1-21-18-24(36-28-29-34-20-27(38(29)17-14-33-28)23-6-9-25(41-5)10-7-23)8-11-26(21)30(39)37-15-12-22(13-16-37)19-35-31(40)42-32(2,3)4/h6-11,14,17-18,20,22H,12-13,15-16,19H2,1-5H3,(H,33,36)(H,35,40)
• InChIKey: LCQBWCSDNXKNPG-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 110.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.69
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate?

The IUPAC name of tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate (CID 150914196) is tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate.

What is the SMILES notation for tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate?

The canonical SMILES for tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate is COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(CNC(=O)OC(C)(C)C)CC5)c(C)c4)nccn23)cc1.

What is the InChIKey of tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate?

The InChIKey is LCQBWCSDNXKNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O4/c1-21-18-24(36-28-29-34-20-27(38(29)17-14-33-28)23-6-9-25(41-5)10-7-23)8-11-26(21)30(39)37-15-12-22(13-16-37)19-35-31(40)42-32(2,3)4/h6-11,14,17-18,20,22H,12-13,15-16,19H2,1-5H3,(H,33,36)(H,35,40).

What are the key properties of tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate?

tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 570.69 g/mol, XLogP of 5.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 150914196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).