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

C22H24F6N6O2 — CID 164536342

IUPAC1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-5-methyl-2-pyridinyl]methyl]urea
SMILESCCN(Cc1cc(-c2cn3ccnc3c(OC)n2)c(C)cn1)C(=O)NC(CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H24F6N6O2/c1-4-33(20(35)32-17(22(26,27)28)5-6-21(23,24)25)11-14-9-15(13(2)10-30-14)16-12-34-8-7-29-18(34)19(31-16)36-3/h7-10,12,17H,4-6,11H2,1-3H3,(H,32,35)
InChIKeyTWZDGSRKAHMDFE-UHFFFAOYSA-N
MW518.46 g/mol
LogP4.91
Rot. Bonds8

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

1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-5-methyl-2-pyridinyl]methyl]urea (PubChem CID 164536342) has the molecular formula C22H24F6N6O2 and a molecular weight of 518.46 g/mol. Its IUPAC name is 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-5-methyl-2-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-5-methyl-2-pyridinyl]methyl]urea
PubChem CID164536342
Molecular FormulaC22H24F6N6O2
Molecular Weight518.46 g/mol
Exact Mass518.19
IUPAC Name1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-5-methyl-2-pyridinyl]methyl]urea
SMILESCCN(Cc1cc(-c2cn3ccnc3c(OC)n2)c(C)cn1)C(=O)NC(CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H24F6N6O2/c1-4-33(20(35)32-17(22(26,27)28)5-6-21(23,24)25)11-14-9-15(13(2)10-30-14)16-12-34-8-7-29-18(34)19(31-16)36-3/h7-10,12,17H,4-6,11H2,1-3H3,(H,32,35)
InChIKeyTWZDGSRKAHMDFE-UHFFFAOYSA-N
XLogP4.91
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]-1-[2,2,2-trifluoro-1-[8-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)imidazo[1,2-a]pyridin-6-yl]ethyl]urea
CID 164536470
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
1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)pyridazin-3-yl]ethyl]urea
CID 164536318
1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[1-[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea
CID 174220063
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
1-ethyl-3-(1,1,1-trifluorobutan-2-yl)-1-[2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea
CID 174220521
1-(2,2-difluoroethyl)-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea
CID 164536343
3-(1-cyclopropyl-4,4,4-trifluorobutyl)-1-ethyl-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea
CID 171401175
1-ethyl-1-[[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]methyl]-3-[(2S)-1,1,1-trifluoro-4-methylpent-3-en-2-yl]urea
CID 164536617
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
3-[[ethyl-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluorobutanoic acid
CID 164536502
1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(1,1,1-trifluoro-3-isocyanopropan-2-yl)urea
CID 171401193

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-5-methyl-2-pyridinyl]methyl]urea?
The IUPAC name of 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-5-methyl-2-pyridinyl]methyl]urea (CID 164536342) is 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-5-methyl-2-pyridinyl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-5-methyl-2-pyridinyl]methyl]urea?
The canonical SMILES for 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-5-methyl-2-pyridinyl]methyl]urea is CCN(Cc1cc(-c2cn3ccnc3c(OC)n2)c(C)cn1)C(=O)NC(CCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-5-methyl-2-pyridinyl]methyl]urea?
The InChIKey is TWZDGSRKAHMDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F6N6O2/c1-4-33(20(35)32-17(22(26,27)28)5-6-21(23,24)25)11-14-9-15(13(2)10-30-14)16-12-34-8-7-29-18(34)19(31-16)36-3/h7-10,12,17H,4-6,11H2,1-3H3,(H,32,35).
What are the key properties of 1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-5-methyl-2-pyridinyl]methyl]urea?
1-ethyl-3-(1,1,1,5,5,5-hexafluoropentan-2-yl)-1-[[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-5-methyl-2-pyridinyl]methyl]urea has a molecular weight of 518.46 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-[[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-5-methyl-2-pyridinyl]methyl]urea is sourced from PubChem (CID 164536342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).