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

C22H24F6N6O2 — CID 174220063

IUPAC1-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
SMILESCCN(C(=O)NC(CCC(F)(F)F)C(F)(F)F)C(C)c1cc(-c2cn3ccnc3c(OC)n2)ccn1
InChIInChI=1S/C22H24F6N6O2/c1-4-34(20(35)32-17(22(26,27)28)5-7-21(23,24)25)13(2)15-11-14(6-8-29-15)16-12-33-10-9-30-18(33)19(31-16)36-3/h6,8-13,17H,4-5,7H2,1-3H3,(H,32,35)
InChIKeyAYECIDZQTQUWKI-UHFFFAOYSA-N
MW518.46 g/mol
LogP5.17
Rot. Bonds8

About 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

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 (PubChem CID 174220063) 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-[1-[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea.

Molecular Properties

Compound Name1-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
PubChem CID174220063
Molecular FormulaC22H24F6N6O2
Molecular Weight518.46 g/mol
Exact Mass518.19
IUPAC Name1-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
SMILESCCN(C(=O)NC(CCC(F)(F)F)C(F)(F)F)C(C)c1cc(-c2cn3ccnc3c(OC)n2)ccn1
InChIInChI=1S/C22H24F6N6O2/c1-4-34(20(35)32-17(22(26,27)28)5-7-21(23,24)25)13(2)15-11-14(6-8-29-15)16-12-33-10-9-30-18(33)19(31-16)36-3/h6,8-13,17H,4-5,7H2,1-3H3,(H,32,35)
InChIKeyAYECIDZQTQUWKI-UHFFFAOYSA-N
XLogP5.17
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-[(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-[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-(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-[[ethyl-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluorobutanoic acid
CID 164536502
3-[[ethyl-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluoro-N,N-dimethylbutanamide
CID 174220194
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
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
1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(1,1,1-trifluorobut-3-en-2-yl)urea
CID 174220560
1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-1-propyl-3-(6,6,6-trifluorohexan-3-yl)urea
CID 174220180
1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(6,6,6-trifluoro-5-methylhexan-3-yl)urea
CID 174220519
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(C(=O)NC(CCC(F)(F)F)C(F)(F)F)C(C)c1cc(-c2cn3ccnc3c(OC)n2)ccn1.
What is the InChIKey of 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?
The InChIKey is AYECIDZQTQUWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F6N6O2/c1-4-34(20(35)32-17(22(26,27)28)5-7-21(23,24)25)13(2)15-11-14(6-8-29-15)16-12-33-10-9-30-18(33)19(31-16)36-3/h6,8-13,17H,4-5,7H2,1-3H3,(H,32,35).
What are the key properties of 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?
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 has a molecular weight of 518.46 g/mol, XLogP of 5.17, 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-[1-[4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea is sourced from PubChem (CID 174220063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).