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

C16H20F3N5O — CID 128992076

IUPACN-methyl-2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
SMILESCN(CC1CCc2nc(C(F)(F)F)cn2C1)C(=O)Cc1ccn(C)n1
InChIInChI=1S/C16H20F3N5O/c1-22(15(25)7-12-5-6-23(2)21-12)8-11-3-4-14-20-13(16(17,18)19)10-24(14)9-11/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyMIOZQTLBQMVAAN-UHFFFAOYSA-N
MW355.36 g/mol
LogP1.90
Rot. Bonds4

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

N-methyl-2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide (PubChem CID 128992076) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
PubChem CID128992076
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC NameN-methyl-2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
SMILESCN(CC1CCc2nc(C(F)(F)F)cn2C1)C(=O)Cc1ccn(C)n1
InChIInChI=1S/C16H20F3N5O/c1-22(15(25)7-12-5-6-23(2)21-12)8-11-3-4-14-20-13(16(17,18)19)10-24(14)9-11/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyMIOZQTLBQMVAAN-UHFFFAOYSA-N
XLogP1.90
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide?
The IUPAC name of N-methyl-2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide (CID 128992076) is N-methyl-2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide?
The canonical SMILES for N-methyl-2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide is CN(CC1CCc2nc(C(F)(F)F)cn2C1)C(=O)Cc1ccn(C)n1.
What is the InChIKey of N-methyl-2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide?
The InChIKey is MIOZQTLBQMVAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-22(15(25)7-12-5-6-23(2)21-12)8-11-3-4-14-20-13(16(17,18)19)10-24(14)9-11/h5-6,10-11H,3-4,7-9H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide?
N-methyl-2-(1-methylpyrazol-3-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 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide is sourced from PubChem (CID 128992076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).