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

C24H25F6N7O5 — CID 171401174

IUPAC1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1,1,1-trifluoro-3-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]urea
SMILESCCN(C(=O)NC(CN1CCOC1=O)C(F)(F)F)[C@@H](c1cc(-c2cn3ccnc3c(OC)n2)c(OC)cn1)C(F)(F)F
InChIInChI=1S/C24H25F6N7O5/c1-4-37(21(38)34-17(23(25,26)27)12-36-7-8-42-22(36)39)18(24(28,29)30)14-9-13(16(40-2)10-32-14)15-11-35-6-5-31-19(35)20(33-15)41-3/h5-6,9-11,17-18H,4,7-8,12H2,1-3H3,(H,34,38)/t17?,18-/m0/s1
InChIKeyXWUYEGVHFQWTHH-ZVAWYAOSSA-N
MW605.50 g/mol
LogP3.83
Rot. Bonds9

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-[1,1,1-trifluoro-3-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]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-[1,1,1-trifluoro-3-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]urea (PubChem CID 171401174) has the molecular formula C24H25F6N7O5 and a molecular weight of 605.50 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-[1,1,1-trifluoro-3-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]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-[1,1,1-trifluoro-3-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]urea
PubChem CID171401174
Molecular FormulaC24H25F6N7O5
Molecular Weight605.50 g/mol
Exact Mass605.18
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-[1,1,1-trifluoro-3-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]urea
SMILESCCN(C(=O)NC(CN1CCOC1=O)C(F)(F)F)[C@@H](c1cc(-c2cn3ccnc3c(OC)n2)c(OC)cn1)C(F)(F)F
InChIInChI=1S/C24H25F6N7O5/c1-4-37(21(38)34-17(23(25,26)27)12-36-7-8-42-22(36)39)18(24(28,29)30)14-9-13(16(40-2)10-32-14)15-11-35-6-5-31-19(35)20(33-15)41-3/h5-6,9-11,17-18H,4,7-8,12H2,1-3H3,(H,34,38)/t17?,18-/m0/s1
InChIKeyXWUYEGVHFQWTHH-ZVAWYAOSSA-N
XLogP3.83
TPSA123.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-[1,1,1-trifluoro-3-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]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-[1,1,1-trifluoro-3-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]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-[1,1,1-trifluoro-3-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]urea (CID 171401174) 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-[1,1,1-trifluoro-3-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]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-[1,1,1-trifluoro-3-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]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-[1,1,1-trifluoro-3-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]urea is CCN(C(=O)NC(CN1CCOC1=O)C(F)(F)F)[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-[1,1,1-trifluoro-3-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]urea?
The InChIKey is XWUYEGVHFQWTHH-ZVAWYAOSSA-N. The full InChI is InChI=1S/C24H25F6N7O5/c1-4-37(21(38)34-17(23(25,26)27)12-36-7-8-42-22(36)39)18(24(28,29)30)14-9-13(16(40-2)10-32-14)15-11-35-6-5-31-19(35)20(33-15)41-3/h5-6,9-11,17-18H,4,7-8,12H2,1-3H3,(H,34,38)/t17?,18-/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-[1,1,1-trifluoro-3-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]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-[1,1,1-trifluoro-3-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]urea has a molecular weight of 605.50 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 9 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-[1,1,1-trifluoro-3-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]urea is sourced from PubChem (CID 171401174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).