4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-(morpholin-2-ylmethyl)benzamide

C26H26F2N6O3 — CID 156780646

About 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-(morpholin-2-ylmethyl)benzamide

4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-(morpholin-2-ylmethyl)benzamide (PubChem CID 156780646) has the molecular formula C26H26F2N6O3 and a molecular weight of 508.53 g/mol. Its IUPAC name is 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-(morpholin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-(morpholin-2-ylmethyl)benzamide
• PubChem CID: 156780646
• Molecular Formula: C26H26F2N6O3
• Molecular Weight: 508.53 g/mol
• Exact Mass: 508.20
• IUPAC Name: 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-(morpholin-2-ylmethyl)benzamide
• SMILES: Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCC1CNCCO1
• InChI: InChI=1S/C26H26F2N6O3/c1-16-12-18(4-7-21(16)25(35)32-14-20-13-29-9-11-36-20)33-23-24-31-15-22(34(24)10-8-30-23)17-2-5-19(6-3-17)37-26(27)28/h2-8,10,12,15,20,26,29H,9,11,13-14H2,1H3,(H,30,33)(H,32,35)
• InChIKey: YZYSVHFIRZNWNZ-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 101.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.53
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-(morpholin-2-ylmethyl)benzamide?

The IUPAC name of 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-(morpholin-2-ylmethyl)benzamide (CID 156780646) is 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-(morpholin-2-ylmethyl)benzamide.

What is the SMILES notation for 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-(morpholin-2-ylmethyl)benzamide?

The canonical SMILES for 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-(morpholin-2-ylmethyl)benzamide is Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCC1CNCCO1.

What is the InChIKey of 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-(morpholin-2-ylmethyl)benzamide?

The InChIKey is YZYSVHFIRZNWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O3/c1-16-12-18(4-7-21(16)25(35)32-14-20-13-29-9-11-36-20)33-23-24-31-15-22(34(24)10-8-30-23)17-2-5-19(6-3-17)37-26(27)28/h2-8,10,12,15,20,26,29H,9,11,13-14H2,1H3,(H,30,33)(H,32,35).

What are the key properties of 4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-(morpholin-2-ylmethyl)benzamide?

4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-(morpholin-2-ylmethyl)benzamide has a molecular weight of 508.53 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 8 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]-2-methyl-N-(morpholin-2-ylmethyl)benzamide is sourced from PubChem (CID 156780646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).