1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea

C15H19F3N6O — CID 129335103

IUPAC1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C15H19F3N6O/c1-22(14(25)20-12-5-6-23(2)21-12)7-10-3-4-13-19-11(15(16,17)18)9-24(13)8-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,21,25)/t10-/m0/s1
InChIKeyOQBYJAIRKJEZBN-JTQLQIEISA-N
MW356.35 g/mol
LogP2.36
Rot. Bonds3

About 1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea

1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (PubChem CID 129335103) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
PubChem CID129335103
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC Name1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C15H19F3N6O/c1-22(14(25)20-12-5-6-23(2)21-12)7-10-3-4-13-19-11(15(16,17)18)9-24(13)8-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,21,25)/t10-/m0/s1
InChIKeyOQBYJAIRKJEZBN-JTQLQIEISA-N
XLogP2.36
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129333227
1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129342140
1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 128966597
1-methyl-3-(oxan-4-yl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 128998409
N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide
CID 129001119
1-methyl-3-[[(2R)-oxolan-2-yl]methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129330219
N,1-dimethyl-6-oxo-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 129327718
2-N-methyl-2-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]furan-2,5-dicarboxamide
CID 129333834
1-methyl-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129338807
3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile
CID 129336506
N-methyl-5-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-oxazole-3-carboxamide
CID 129332582
N-methyl-5-propan-2-yl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128970412

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The IUPAC name of 1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (CID 129335103) is 1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)Nc1ccn(C)n1.
What is the InChIKey of 1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The InChIKey is OQBYJAIRKJEZBN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19F3N6O/c1-22(14(25)20-12-5-6-23(2)21-12)7-10-3-4-13-19-11(15(16,17)18)9-24(13)8-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,21,25)/t10-/m0/s1.
What are the key properties of 1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea has a molecular weight of 356.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is sourced from PubChem (CID 129335103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).