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

C14H17F3N4O2S — CID 129002350

IUPAC1-(1-cyanocyclopropyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide
SMILESN#CC1(CS(=O)(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)CC1
InChIInChI=1S/C14H17F3N4O2S/c15-14(16,17)11-7-21-6-10(1-2-12(21)20-11)5-19-24(22,23)9-13(8-18)3-4-13/h7,10,19H,1-6,9H2
InChIKeyQLYWRXKLUFFDPA-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.69
Rot. Bonds5

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

1-(1-cyanocyclopropyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide (PubChem CID 129002350) has the molecular formula C14H17F3N4O2S and a molecular weight of 362.38 g/mol. Its IUPAC name is 1-(1-cyanocyclopropyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1-cyanocyclopropyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide
PubChem CID129002350
Molecular FormulaC14H17F3N4O2S
Molecular Weight362.38 g/mol
Exact Mass362.10
IUPAC Name1-(1-cyanocyclopropyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide
SMILESN#CC1(CS(=O)(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)CC1
InChIInChI=1S/C14H17F3N4O2S/c15-14(16,17)11-7-21-6-10(1-2-12(21)20-11)5-19-24(22,23)9-13(8-18)3-4-13/h7,10,19H,1-6,9H2
InChIKeyQLYWRXKLUFFDPA-UHFFFAOYSA-N
XLogP1.69
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanocyclopropyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(1-cyanocyclopropyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide (CID 129002350) is 1-(1-cyanocyclopropyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(1-cyanocyclopropyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(1-cyanocyclopropyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide is N#CC1(CS(=O)(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)CC1.
What is the InChIKey of 1-(1-cyanocyclopropyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide?
The InChIKey is QLYWRXKLUFFDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2S/c15-14(16,17)11-7-21-6-10(1-2-12(21)20-11)5-19-24(22,23)9-13(8-18)3-4-13/h7,10,19H,1-6,9H2.
What are the key properties of 1-(1-cyanocyclopropyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide?
1-(1-cyanocyclopropyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide has a molecular weight of 362.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanocyclopropyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide is sourced from PubChem (CID 129002350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).