3-[[ethyl-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluoro-N,N-dimethylbutanamide

C24H29F3N6O3 — CID 174220194

IUPAC3-[[ethyl-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluoro-N,N-dimethylbutanamide
SMILESCCN(C(=O)NC(CC(=O)N(C)C)C(F)(F)F)C(C)c1cccc(-c2cn3ccnc3c(OC)n2)c1
InChIInChI=1S/C24H29F3N6O3/c1-6-33(23(35)30-19(24(25,26)27)13-20(34)31(3)4)15(2)16-8-7-9-17(12-16)18-14-32-11-10-28-21(32)22(29-18)36-5/h7-12,14-15,19H,6,13H2,1-5H3,(H,30,35)
InChIKeyIZHLNTMMTMIBQA-UHFFFAOYSA-N
MW506.53 g/mol
LogP3.91
Rot. Bonds8

About 3-[[ethyl-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluoro-N,N-dimethylbutanamide

3-[[ethyl-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluoro-N,N-dimethylbutanamide (PubChem CID 174220194) has the molecular formula C24H29F3N6O3 and a molecular weight of 506.53 g/mol. Its IUPAC name is 3-[[ethyl-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluoro-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-[[ethyl-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluoro-N,N-dimethylbutanamide
PubChem CID174220194
Molecular FormulaC24H29F3N6O3
Molecular Weight506.53 g/mol
Exact Mass506.23
IUPAC Name3-[[ethyl-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluoro-N,N-dimethylbutanamide
SMILESCCN(C(=O)NC(CC(=O)N(C)C)C(F)(F)F)C(C)c1cccc(-c2cn3ccnc3c(OC)n2)c1
InChIInChI=1S/C24H29F3N6O3/c1-6-33(23(35)30-19(24(25,26)27)13-20(34)31(3)4)15(2)16-8-7-9-17(12-16)18-14-32-11-10-28-21(32)22(29-18)36-5/h7-12,14-15,19H,6,13H2,1-5H3,(H,30,35)
InChIKeyIZHLNTMMTMIBQA-UHFFFAOYSA-N
XLogP3.91
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-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
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
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-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-1-propyl-3-(6,6,6-trifluorohexan-3-yl)urea
CID 174220180
3-[1-(4,4-difluorooxan-2-yl)-2,2,2-trifluoroethyl]-1-ethyl-1-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea
CID 174220142
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-(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
3-[2-(dimethylamino)-3,3,3-trifluoropropyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]urea
CID 171401144
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

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluoro-N,N-dimethylbutanamide?
The IUPAC name of 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) is 3-[[ethyl-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluoro-N,N-dimethylbutanamide.
What is the SMILES notation for 3-[[ethyl-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluoro-N,N-dimethylbutanamide?
The canonical SMILES for 3-[[ethyl-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluoro-N,N-dimethylbutanamide is CCN(C(=O)NC(CC(=O)N(C)C)C(F)(F)F)C(C)c1cccc(-c2cn3ccnc3c(OC)n2)c1.
What is the InChIKey of 3-[[ethyl-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluoro-N,N-dimethylbutanamide?
The InChIKey is IZHLNTMMTMIBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N6O3/c1-6-33(23(35)30-19(24(25,26)27)13-20(34)31(3)4)15(2)16-8-7-9-17(12-16)18-14-32-11-10-28-21(32)22(29-18)36-5/h7-12,14-15,19H,6,13H2,1-5H3,(H,30,35).
What are the key properties of 3-[[ethyl-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluoro-N,N-dimethylbutanamide?
3-[[ethyl-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluoro-N,N-dimethylbutanamide has a molecular weight of 506.53 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]carbamoyl]amino]-4,4,4-trifluoro-N,N-dimethylbutanamide is sourced from PubChem (CID 174220194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).