1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea

C17H20F3N5O — CID 129342140

IUPAC1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCc1cnccc1NC(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C17H20F3N5O/c1-11-7-21-6-5-13(11)22-16(26)24(2)8-12-3-4-15-23-14(17(18,19)20)10-25(15)9-12/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,21,22,26)/t12-/m1/s1
InChIKeyZYTQSPJINZODGW-GFCCVEGCSA-N
MW367.38 g/mol
LogP3.33
Rot. Bonds3

About 1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea

1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (PubChem CID 129342140) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
PubChem CID129342140
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCc1cnccc1NC(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C17H20F3N5O/c1-11-7-21-6-5-13(11)22-16(26)24(2)8-12-3-4-15-23-14(17(18,19)20)10-25(15)9-12/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,21,22,26)/t12-/m1/s1
InChIKeyZYTQSPJINZODGW-GFCCVEGCSA-N
XLogP3.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129335103
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-(4-methyl-3-pyridinyl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129341249
1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129328656
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,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-3-carboxamide
CID 129333228
1-methyl-3-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 128998483
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
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The IUPAC name of 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) is 1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is Cc1cnccc1NC(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The InChIKey is ZYTQSPJINZODGW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-11-7-21-6-5-13(11)22-16(26)24(2)8-12-3-4-15-23-14(17(18,19)20)10-25(15)9-12/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,21,22,26)/t12-/m1/s1.
What are the key properties of 1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea has a molecular weight of 367.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is sourced from PubChem (CID 129342140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).