1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea

C23H25F6N5O2 — CID 164536644

IUPAC1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea
SMILESCCN(Cc1cccc(-c2cn3ccnc3c(OC)n2)c1)C(=O)NC(CC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H25F6N5O2/c1-4-33(21(35)32-18(23(27,28)29)10-14(2)22(24,25)26)12-15-6-5-7-16(11-15)17-13-34-9-8-30-19(34)20(31-17)36-3/h5-9,11,13-14,18H,4,10,12H2,1-3H3,(H,32,35)
InChIKeyNZHHMRYIWUIAPI-UHFFFAOYSA-N
MW517.47 g/mol
LogP5.46
Rot. Bonds8

About 1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea

1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea (PubChem CID 164536644) has the molecular formula C23H25F6N5O2 and a molecular weight of 517.47 g/mol. Its IUPAC name is 1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea
PubChem CID164536644
Molecular FormulaC23H25F6N5O2
Molecular Weight517.47 g/mol
Exact Mass517.19
IUPAC Name1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea
SMILESCCN(Cc1cccc(-c2cn3ccnc3c(OC)n2)c1)C(=O)NC(CC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H25F6N5O2/c1-4-33(21(35)32-18(23(27,28)29)10-14(2)22(24,25)26)12-15-6-5-7-16(11-15)17-13-34-9-8-30-19(34)20(31-17)36-3/h5-9,11,13-14,18H,4,10,12H2,1-3H3,(H,32,35)
InChIKeyNZHHMRYIWUIAPI-UHFFFAOYSA-N
XLogP5.46
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.47
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea with MolForge

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Related Compounds

{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
3-((R)-1-(cyanomethyl)piperidin-3-yl)-1-ethyl-1-((R)-1-(3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl)ethyl)urea
CID 164536547
3-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea
CID 164536581
3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea
CID 164536685
N-(5-Methyl-imidazo[1,2-a]pyridin-6-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9802758
N-[6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 56929824
N-[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251818
N-[6-(5-amino-6-ethoxypyrazin-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251964
N-[6-(5-amino-6-methoxypyrazin-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251975
6-{4-[4-(4-Fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-5-methoxy-pyrimidin-4-ylamine
CID 89442709
[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate
CID 122445546
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide
CID 122445627

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea?
The IUPAC name of 1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea (CID 164536644) is 1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea?
The canonical SMILES for 1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea is CCN(Cc1cccc(-c2cn3ccnc3c(OC)n2)c1)C(=O)NC(CC(C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea?
The InChIKey is NZHHMRYIWUIAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F6N5O2/c1-4-33(21(35)32-18(23(27,28)29)10-14(2)22(24,25)26)12-15-6-5-7-16(11-15)17-13-34-9-8-30-19(34)20(31-17)36-3/h5-9,11,13-14,18H,4,10,12H2,1-3H3,(H,32,35).
What are the key properties of 1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea?
1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea has a molecular weight of 517.47 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1,1,1,5,5,5-hexafluoro-4-methylpentan-2-yl)-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]urea is sourced from PubChem (CID 164536644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).