1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide

C14H18F3N5O2S — CID 129341366

IUPAC1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cn1C
InChIInChI=1S/C14H18F3N5O2S/c1-9-19-13(8-21(9)2)25(23,24)18-5-10-3-4-12-20-11(14(15,16)17)7-22(12)6-10/h7-8,10,18H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyYRIYHJJVGYYLPV-JTQLQIEISA-N
MW377.39 g/mol
LogP1.48
Rot. Bonds4

About 1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide

1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide (PubChem CID 129341366) has the molecular formula C14H18F3N5O2S and a molecular weight of 377.39 g/mol. Its IUPAC name is 1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide
PubChem CID129341366
Molecular FormulaC14H18F3N5O2S
Molecular Weight377.39 g/mol
Exact Mass377.11
IUPAC Name1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cn1C
InChIInChI=1S/C14H18F3N5O2S/c1-9-19-13(8-21(9)2)25(23,24)18-5-10-3-4-12-20-11(14(15,16)17)7-22(12)6-10/h7-8,10,18H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyYRIYHJJVGYYLPV-JTQLQIEISA-N
XLogP1.48
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide (CID 129341366) is 1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cn1C.
What is the InChIKey of 1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide?
The InChIKey is YRIYHJJVGYYLPV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F3N5O2S/c1-9-19-13(8-21(9)2)25(23,24)18-5-10-3-4-12-20-11(14(15,16)17)7-22(12)6-10/h7-8,10,18H,3-6H2,1-2H3/t10-/m0/s1.
What are the key properties of 1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide has a molecular weight of 377.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 129341366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).