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

C14H17F3N6O — CID 129333227

IUPAC1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCn1ccc(NC(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)n1
InChIInChI=1S/C14H17F3N6O/c1-22-5-4-11(21-22)20-13(24)18-6-9-2-3-12-19-10(14(15,16)17)8-23(12)7-9/h4-5,8-9H,2-3,6-7H2,1H3,(H2,18,20,21,24)/t9-/m0/s1
InChIKeyLYXNJFIQVFAXKK-VIFPVBQESA-N
MW342.33 g/mol
LogP2.02
Rot. Bonds3

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

1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (PubChem CID 129333227) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
PubChem CID129333227
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCn1ccc(NC(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)n1
InChIInChI=1S/C14H17F3N6O/c1-22-5-4-11(21-22)20-13(24)18-6-9-2-3-12-19-10(14(15,16)17)8-23(12)7-9/h4-5,8-9H,2-3,6-7H2,1H3,(H2,18,20,21,24)/t9-/m0/s1
InChIKeyLYXNJFIQVFAXKK-VIFPVBQESA-N
XLogP2.02
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-pyridin-2-yl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129005982
1-pyridin-2-yl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129330660
1-(2-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129327730
2-(1-methylpyrazol-4-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 124737660
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129004435
1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129339762
1-(2-pyrazol-1-ylethyl)-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129339761
4-[[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylcarbamoylamino]methyl]benzoic acid
CID 122020711
1-methyl-6-oxo-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridazine-3-carboxamide
CID 129330547
2-(1H-pyrazol-5-yl)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 129342084
2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide
CID 129329247

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (CID 129333227) is 1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is Cn1ccc(NC(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The InChIKey is LYXNJFIQVFAXKK-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-22-5-4-11(21-22)20-13(24)18-6-9-2-3-12-19-10(14(15,16)17)8-23(12)7-9/h4-5,8-9H,2-3,6-7H2,1H3,(H2,18,20,21,24)/t9-/m0/s1.
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea has a molecular weight of 342.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is sourced from PubChem (CID 129333227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).