2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide

C16H20F3N5O — CID 129002371

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)n1
InChIInChI=1S/C16H20F3N5O/c1-10-5-11(2)24(22-10)9-15(25)20-6-12-3-4-14-21-13(16(17,18)19)8-23(14)7-12/h5,8,12H,3-4,6-7,9H2,1-2H3,(H,20,25)
InChIKeyVZXIUJWWVKCDFB-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.09
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide (PubChem CID 129002371) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
PubChem CID129002371
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)n1
InChIInChI=1S/C16H20F3N5O/c1-10-5-11(2)24(22-10)9-15(25)20-6-12-3-4-14-21-13(16(17,18)19)8-23(14)7-12/h5,8,12H,3-4,6-7,9H2,1-2H3,(H,20,25)
InChIKeyVZXIUJWWVKCDFB-UHFFFAOYSA-N
XLogP2.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide (CID 129002371) is 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide is Cc1cc(C)n(CC(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide?
The InChIKey is VZXIUJWWVKCDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-10-5-11(2)24(22-10)9-15(25)20-6-12-3-4-14-21-13(16(17,18)19)8-23(14)7-12/h5,8,12H,3-4,6-7,9H2,1-2H3,(H,20,25).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide has a molecular weight of 355.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide is sourced from PubChem (CID 129002371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).