1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea

C23H26F6N6O3 — CID 174220373

About 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea

1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea (PubChem CID 174220373) has the molecular formula C23H26F6N6O3 and a molecular weight of 548.49 g/mol. Its IUPAC name is 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea.

Molecular Properties

• Compound Name: 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea
• PubChem CID: 174220373
• Molecular Formula: C23H26F6N6O3
• Molecular Weight: 548.49 g/mol
• Exact Mass: 548.20
• IUPAC Name: 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea
• SMILES: CCN(C(=O)NC(CCC(F)(F)F)C(F)(F)F)[C@H](C)c1cnc(OC)c(-c2cn3ccnc3c(OC)n2)c1
• InChI: InChI=1S/C23H26F6N6O3/c1-5-35(21(36)33-17(23(27,28)29)6-7-22(24,25)26)13(2)14-10-15(19(37-3)31-11-14)16-12-34-9-8-30-18(34)20(32-16)38-4/h8-13,17H,5-7H2,1-4H3,(H,33,36)/t13-,17?/m1/s1
• InChIKey: ZOBBMOXZEBFMCI-FWJOYPJLSA-N
• XLogP: 5.17
• TPSA: 93.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.49
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea?

The IUPAC name of 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea (CID 174220373) is 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea.

What is the SMILES notation for 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea?

The canonical SMILES for 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea is CCN(C(=O)NC(CCC(F)(F)F)C(F)(F)F)[C@H](C)c1cnc(OC)c(-c2cn3ccnc3c(OC)n2)c1.

What is the InChIKey of 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea?

The InChIKey is ZOBBMOXZEBFMCI-FWJOYPJLSA-N. The full InChI is InChI=1S/C23H26F6N6O3/c1-5-35(21(36)33-17(23(27,28)29)6-7-22(24,25)26)13(2)14-10-15(19(37-3)31-11-14)16-12-34-9-8-30-18(34)20(32-16)38-4/h8-13,17H,5-7H2,1-4H3,(H,33,36)/t13-,17?/m1/s1.

What are the key properties of 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea?

1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea has a molecular weight of 548.49 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea is sourced from PubChem (CID 174220373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).