1-ethyl-1-[[5-methoxy-4-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]urea

C25H31F3N6O4 — CID 164536386

About 1-ethyl-1-[[5-methoxy-4-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]urea

1-ethyl-1-[[5-methoxy-4-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]urea (PubChem CID 164536386) has the molecular formula C25H31F3N6O4 and a molecular weight of 536.56 g/mol. Its IUPAC name is 1-ethyl-1-[[5-methoxy-4-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-ethyl-1-[[5-methoxy-4-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]urea
• PubChem CID: 164536386
• Molecular Formula: C25H31F3N6O4
• Molecular Weight: 536.56 g/mol
• Exact Mass: 536.24
• IUPAC Name: 1-ethyl-1-[[5-methoxy-4-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]urea
• SMILES: CCN(Cc1cc(-c2cn3cc(C)nc3c(OC)n2)c(OC)cn1)C(=O)NC(C1CCOCC1)C(F)(F)F
• InChI: InChI=1S/C25H31F3N6O4/c1-5-33(24(35)32-21(25(26,27)28)16-6-8-38-9-7-16)13-17-10-18(20(36-3)11-29-17)19-14-34-12-15(2)30-22(34)23(31-19)37-4/h10-12,14,16,21H,5-9,13H2,1-4H3,(H,32,35)
• InChIKey: VPGCBUZLCKBASM-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 103.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.56
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[[5-methoxy-4-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]urea?

The IUPAC name of 1-ethyl-1-[[5-methoxy-4-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]urea (CID 164536386) is 1-ethyl-1-[[5-methoxy-4-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]urea.

What is the SMILES notation for 1-ethyl-1-[[5-methoxy-4-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]urea?

The canonical SMILES for 1-ethyl-1-[[5-methoxy-4-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]urea is CCN(Cc1cc(-c2cn3cc(C)nc3c(OC)n2)c(OC)cn1)C(=O)NC(C1CCOCC1)C(F)(F)F.

What is the InChIKey of 1-ethyl-1-[[5-methoxy-4-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]urea?

The InChIKey is VPGCBUZLCKBASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N6O4/c1-5-33(24(35)32-21(25(26,27)28)16-6-8-38-9-7-16)13-17-10-18(20(36-3)11-29-17)19-14-34-12-15(2)30-22(34)23(31-19)37-4/h10-12,14,16,21H,5-9,13H2,1-4H3,(H,32,35).

What are the key properties of 1-ethyl-1-[[5-methoxy-4-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]urea?

1-ethyl-1-[[5-methoxy-4-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]urea has a molecular weight of 536.56 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-1-[[5-methoxy-4-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]urea is sourced from PubChem (CID 164536386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).