4-[6-[3-(2-amino-2-oxoethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide

C29H28N8O2 — CID 67973867

About 4-[6-[3-(2-amino-2-oxoethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide

4-[6-[3-(2-amino-2-oxoethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (PubChem CID 67973867) has the molecular formula C29H28N8O2 and a molecular weight of 520.60 g/mol. Its IUPAC name is 4-[6-[3-(2-amino-2-oxoethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.

Molecular Properties

• Compound Name: 4-[6-[3-(2-amino-2-oxoethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
• PubChem CID: 67973867
• Molecular Formula: C29H28N8O2
• Molecular Weight: 520.60 g/mol
• Exact Mass: 520.23
• IUPAC Name: 4-[6-[3-(2-amino-2-oxoethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
• SMILES: Cn1nccc1CNc1nc(-c2cccc(CC(N)=O)c2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
• InChI: InChI=1S/C29H28N8O2/c1-36-23(11-12-33-36)15-31-27-28-32-16-25(19-5-7-20(8-6-19)29(39)34-22-9-10-22)37(28)17-24(35-27)21-4-2-3-18(13-21)14-26(30)38/h2-8,11-13,16-17,22H,9-10,14-15H2,1H3,(H2,30,38)(H,31,35)(H,34,39)
• InChIKey: PGDLRXNQQDTDNV-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 132.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.60
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(2-amino-2-oxoethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?

The IUPAC name of 4-[6-[3-(2-amino-2-oxoethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (CID 67973867) is 4-[6-[3-(2-amino-2-oxoethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.

What is the SMILES notation for 4-[6-[3-(2-amino-2-oxoethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?

The canonical SMILES for 4-[6-[3-(2-amino-2-oxoethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is Cn1nccc1CNc1nc(-c2cccc(CC(N)=O)c2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.

What is the InChIKey of 4-[6-[3-(2-amino-2-oxoethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?

The InChIKey is PGDLRXNQQDTDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N8O2/c1-36-23(11-12-33-36)15-31-27-28-32-16-25(19-5-7-20(8-6-19)29(39)34-22-9-10-22)37(28)17-24(35-27)21-4-2-3-18(13-21)14-26(30)38/h2-8,11-13,16-17,22H,9-10,14-15H2,1H3,(H2,30,38)(H,31,35)(H,34,39).

What are the key properties of 4-[6-[3-(2-amino-2-oxoethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?

4-[6-[3-(2-amino-2-oxoethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide has a molecular weight of 520.60 g/mol, XLogP of 3.33, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[3-(2-amino-2-oxoethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 67973867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).