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

C16H20F3N5O — CID 129002918

IUPAC3-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propanamide
SMILESCn1nccc1CCC(=O)NCC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C16H20F3N5O/c1-23-12(6-7-21-23)3-5-15(25)20-8-11-2-4-14-22-13(16(17,18)19)10-24(14)9-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,20,25)
InChIKeyLPLPBMHLTZJQNA-UHFFFAOYSA-N
MW355.36 g/mol
LogP1.95
Rot. Bonds5

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

3-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propanamide (PubChem CID 129002918) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propanamide
PubChem CID129002918
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name3-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propanamide
SMILESCn1nccc1CCC(=O)NCC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C16H20F3N5O/c1-23-12(6-7-21-23)3-5-15(25)20-8-11-2-4-14-22-13(16(17,18)19)10-24(14)9-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,20,25)
InChIKeyLPLPBMHLTZJQNA-UHFFFAOYSA-N
XLogP1.95
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propanamide?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propanamide (CID 129002918) is 3-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propanamide?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propanamide is Cn1nccc1CCC(=O)NCC1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propanamide?
The InChIKey is LPLPBMHLTZJQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-23-12(6-7-21-23)3-5-15(25)20-8-11-2-4-14-22-13(16(17,18)19)10-24(14)9-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,20,25).
What are the key properties of 3-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propanamide?
3-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propanamide has a molecular weight of 355.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propanamide is sourced from PubChem (CID 129002918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).