N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C21H21N7O — CID 57382091

About N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 57382091) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
• PubChem CID: 57382091
• Molecular Formula: C21H21N7O
• Molecular Weight: 387.45 g/mol
• Exact Mass: 387.18
• IUPAC Name: N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
• SMILES: Cc1cc(-c2cnc3c(NCc4ccn[nH]4)nccn23)ccc1C(=O)NC1CC1
• InChI: InChI=1S/C21H21N7O/c1-13-10-14(2-5-17(13)21(29)26-15-3-4-15)18-12-24-20-19(22-8-9-28(18)20)23-11-16-6-7-25-27-16/h2,5-10,12,15H,3-4,11H2,1H3,(H,22,23)(H,25,27)(H,26,29)
• InChIKey: MMJZAGTXQBVNLI-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 100.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.45
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?

The IUPAC name of N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 57382091) is N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

What is the SMILES notation for N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?

The canonical SMILES for N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is Cc1cc(-c2cnc3c(NCc4ccn[nH]4)nccn23)ccc1C(=O)NC1CC1.

What is the InChIKey of N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?

The InChIKey is MMJZAGTXQBVNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-13-10-14(2-5-17(13)21(29)26-15-3-4-15)18-12-24-20-19(22-8-9-28(18)20)23-11-16-6-7-25-27-16/h2,5-10,12,15H,3-4,11H2,1H3,(H,22,23)(H,25,27)(H,26,29).

What are the key properties of N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?

N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 387.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 57382091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).