1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea

C23H24F6N6O3 — CID 167117085

IUPAC1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea
SMILESCCN(C(=O)NC1(C(F)(F)F)CCC1)[C@@H](c1cc(-c2cn3ccnc3c(OC)n2)c(OC)cn1)C(F)(F)F
InChIInChI=1S/C23H24F6N6O3/c1-4-35(20(36)33-21(6-5-7-21)23(27,28)29)17(22(24,25)26)14-10-13(16(37-2)11-31-14)15-12-34-9-8-30-18(34)19(32-15)38-3/h8-12,17H,4-7H2,1-3H3,(H,33,36)/t17-/m0/s1
InChIKeyGOHAKGBEAUBDLP-KRWDZBQOSA-N
MW546.47 g/mol
LogP4.93
Rot. Bonds7

About 1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea

1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea (PubChem CID 167117085) has the molecular formula C23H24F6N6O3 and a molecular weight of 546.47 g/mol. Its IUPAC name is 1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea
PubChem CID167117085
Molecular FormulaC23H24F6N6O3
Molecular Weight546.47 g/mol
Exact Mass546.18
IUPAC Name1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea
SMILESCCN(C(=O)NC1(C(F)(F)F)CCC1)[C@@H](c1cc(-c2cn3ccnc3c(OC)n2)c(OC)cn1)C(F)(F)F
InChIInChI=1S/C23H24F6N6O3/c1-4-35(20(36)33-21(6-5-7-21)23(27,28)29)17(22(24,25)26)14-10-13(16(37-2)11-31-14)15-12-34-9-8-30-18(34)19(32-15)38-3/h8-12,17H,4-7H2,1-3H3,(H,33,36)/t17-/m0/s1
InChIKeyGOHAKGBEAUBDLP-KRWDZBQOSA-N
XLogP4.93
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea?
The IUPAC name of 1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea (CID 167117085) is 1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea.
What is the SMILES notation for 1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea?
The canonical SMILES for 1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea is CCN(C(=O)NC1(C(F)(F)F)CCC1)[C@@H](c1cc(-c2cn3ccnc3c(OC)n2)c(OC)cn1)C(F)(F)F.
What is the InChIKey of 1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea?
The InChIKey is GOHAKGBEAUBDLP-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24F6N6O3/c1-4-35(20(36)33-21(6-5-7-21)23(27,28)29)17(22(24,25)26)14-10-13(16(37-2)11-31-14)15-12-34-9-8-30-18(34)19(32-15)38-3/h8-12,17H,4-7H2,1-3H3,(H,33,36)/t17-/m0/s1.
What are the key properties of 1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea?
1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea has a molecular weight of 546.47 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea is sourced from PubChem (CID 167117085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).