4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-[2-[2-(4-hydroxypiperidin-1-yl)ethoxy]ethyl]-2-methylbenzamide

C30H34F2N6O4 — CID 154943771

About 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-[2-[2-(4-hydroxypiperidin-1-yl)ethoxy]ethyl]-2-methylbenzamide

4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-[2-[2-(4-hydroxypiperidin-1-yl)ethoxy]ethyl]-2-methylbenzamide (PubChem CID 154943771) has the molecular formula C30H34F2N6O4 and a molecular weight of 580.64 g/mol. Its IUPAC name is 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-[2-[2-(4-hydroxypiperidin-1-yl)ethoxy]ethyl]-2-methylbenzamide.

Molecular Properties

• Compound Name: 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-[2-[2-(4-hydroxypiperidin-1-yl)ethoxy]ethyl]-2-methylbenzamide
• PubChem CID: 154943771
• Molecular Formula: C30H34F2N6O4
• Molecular Weight: 580.64 g/mol
• Exact Mass: 580.26
• IUPAC Name: 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-[2-[2-(4-hydroxypiperidin-1-yl)ethoxy]ethyl]-2-methylbenzamide
• SMILES: Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCCOCCN1CCC(O)CC1
• InChI: InChI=1S/C30H34F2N6O4/c1-20-18-22(4-7-25(20)29(40)34-11-16-41-17-15-37-12-8-23(39)9-13-37)36-27-28-35-19-26(38(28)14-10-33-27)21-2-5-24(6-3-21)42-30(31)32/h2-7,10,14,18-19,23,30,39H,8-9,11-13,15-17H2,1H3,(H,33,36)(H,34,40)
• InChIKey: CZNYSQJSEWBYLG-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 113.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.64
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-[2-[2-(4-hydroxypiperidin-1-yl)ethoxy]ethyl]-2-methylbenzamide?

The IUPAC name of 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-[2-[2-(4-hydroxypiperidin-1-yl)ethoxy]ethyl]-2-methylbenzamide (CID 154943771) is 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-[2-[2-(4-hydroxypiperidin-1-yl)ethoxy]ethyl]-2-methylbenzamide.

What is the SMILES notation for 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-[2-[2-(4-hydroxypiperidin-1-yl)ethoxy]ethyl]-2-methylbenzamide?

The canonical SMILES for 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-[2-[2-(4-hydroxypiperidin-1-yl)ethoxy]ethyl]-2-methylbenzamide is Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCCOCCN1CCC(O)CC1.

What is the InChIKey of 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-[2-[2-(4-hydroxypiperidin-1-yl)ethoxy]ethyl]-2-methylbenzamide?

The InChIKey is CZNYSQJSEWBYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F2N6O4/c1-20-18-22(4-7-25(20)29(40)34-11-16-41-17-15-37-12-8-23(39)9-13-37)36-27-28-35-19-26(38(28)14-10-33-27)21-2-5-24(6-3-21)42-30(31)32/h2-7,10,14,18-19,23,30,39H,8-9,11-13,15-17H2,1H3,(H,33,36)(H,34,40).

What are the key properties of 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-[2-[2-(4-hydroxypiperidin-1-yl)ethoxy]ethyl]-2-methylbenzamide?

4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-[2-[2-(4-hydroxypiperidin-1-yl)ethoxy]ethyl]-2-methylbenzamide has a molecular weight of 580.64 g/mol, XLogP of 4.25, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-[2-[2-(4-hydroxypiperidin-1-yl)ethoxy]ethyl]-2-methylbenzamide is sourced from PubChem (CID 154943771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).