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

C15H18F3N5O — CID 129004799

IUPAC2,5-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)n(C)n1
InChIInChI=1S/C15H18F3N5O/c1-9-5-11(22(2)21-9)14(24)19-6-10-3-4-13-20-12(15(16,17)18)8-23(13)7-10/h5,8,10H,3-4,6-7H2,1-2H3,(H,19,24)
InChIKeyYQZDQKRQKPCXBT-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.94
Rot. Bonds3

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

2,5-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide (PubChem CID 129004799) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide
PubChem CID129004799
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name2,5-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)n(C)n1
InChIInChI=1S/C15H18F3N5O/c1-9-5-11(22(2)21-9)14(24)19-6-10-3-4-13-20-12(15(16,17)18)8-23(13)7-10/h5,8,10H,3-4,6-7H2,1-2H3,(H,19,24)
InChIKeyYQZDQKRQKPCXBT-UHFFFAOYSA-N
XLogP1.94
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide (CID 129004799) is 2,5-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is YQZDQKRQKPCXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-9-5-11(22(2)21-9)14(24)19-6-10-3-4-13-20-12(15(16,17)18)8-23(13)7-10/h5,8,10H,3-4,6-7H2,1-2H3,(H,19,24).
What are the key properties of 2,5-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 129004799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).