N-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide

C12H14F3N3O — CID 155902636

IUPACN-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCc2nc(C(F)(F)F)cn2C1)C1CC1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)9-6-18-5-8(3-4-10(18)17-9)16-11(19)7-1-2-7/h6-8H,1-5H2,(H,16,19)
InChIKeyWQDGAVOGCDDQMM-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.74
Rot. Bonds2

About N-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide

N-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 155902636) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID155902636
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC NameN-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCc2nc(C(F)(F)F)cn2C1)C1CC1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)9-6-18-5-8(3-4-10(18)17-9)16-11(19)7-1-2-7/h6-8H,1-5H2,(H,16,19)
InChIKeyWQDGAVOGCDDQMM-UHFFFAOYSA-N
XLogP1.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride
CID 138040505
1-methyl-3-(oxan-4-yl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 128998409
(3S)-1-cyclopentyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-5-oxopyrrolidine-3-carboxamide
CID 95137842
1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 127300261
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 167883559
1-(cyclopropylmethyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 86772669
2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(oxan-4-yl)acetamide
CID 129338575
N-cyclopropyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 163348930
(7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 125454335
N-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide
CID 86772766
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide (CID 155902636) is N-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide is O=C(NC1CCc2nc(C(F)(F)F)cn2C1)C1CC1.
What is the InChIKey of N-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is WQDGAVOGCDDQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c13-12(14,15)9-6-18-5-8(3-4-10(18)17-9)16-11(19)7-1-2-7/h6-8H,1-5H2,(H,16,19).
What are the key properties of N-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide?
N-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 273.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 155902636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).