3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide

C21H23N7O — CID 173087586

About 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide

3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide (PubChem CID 173087586) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide.

Molecular Properties

• Compound Name: 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide
• PubChem CID: 173087586
• Molecular Formula: C21H23N7O
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.20
• IUPAC Name: 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide
• SMILES: CCNC(=O)c1cccc(N2C=C(Nc3cc(C4CC4)[nH]n3)n3ccnc3C2)c1
• InChI: InChI=1S/C21H23N7O/c1-2-22-21(29)15-4-3-5-16(10-15)27-12-19-23-8-9-28(19)20(13-27)24-18-11-17(25-26-18)14-6-7-14/h3-5,8-11,13-14H,2,6-7,12H2,1H3,(H,22,29)(H2,24,25,26)
• InChIKey: AEDBFMHIHQPQGB-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 90.87 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	389.46
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide?

The IUPAC name of 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide (CID 173087586) is 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide.

What is the SMILES notation for 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide?

The canonical SMILES for 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide is CCNC(=O)c1cccc(N2C=C(Nc3cc(C4CC4)[nH]n3)n3ccnc3C2)c1.

What is the InChIKey of 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide?

The InChIKey is AEDBFMHIHQPQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-2-22-21(29)15-4-3-5-16(10-15)27-12-19-23-8-9-28(19)20(13-27)24-18-11-17(25-26-18)14-6-7-14/h3-5,8-11,13-14H,2,6-7,12H2,1H3,(H,22,29)(H2,24,25,26).

What are the key properties of 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide?

3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide has a molecular weight of 389.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide is sourced from PubChem (CID 173087586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).