N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide

C15H20F3N5O2S — CID 128993385

IUPACN-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide
SMILESCn1ncc(CN(Cc2cn3c(n2)CCCC3)S(C)(=O)=O)c1C(F)(F)F
InChIInChI=1S/C15H20F3N5O2S/c1-21-14(15(16,17)18)11(7-19-21)8-23(26(2,24)25)10-12-9-22-6-4-3-5-13(22)20-12/h7,9H,3-6,8,10H2,1-2H3
InChIKeyJFTVFLJAEZTNJO-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.93
Rot. Bonds5

About N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide

N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide (PubChem CID 128993385) has the molecular formula C15H20F3N5O2S and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide
PubChem CID128993385
Molecular FormulaC15H20F3N5O2S
Molecular Weight391.42 g/mol
Exact Mass391.13
IUPAC NameN-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide
SMILESCn1ncc(CN(Cc2cn3c(n2)CCCC3)S(C)(=O)=O)c1C(F)(F)F
InChIInChI=1S/C15H20F3N5O2S/c1-21-14(15(16,17)18)11(7-19-21)8-23(26(2,24)25)10-12-9-22-6-4-3-5-13(22)20-12/h7,9H,3-6,8,10H2,1-2H3
InChIKeyJFTVFLJAEZTNJO-UHFFFAOYSA-N
XLogP1.93
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide (CID 128993385) is N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide is Cn1ncc(CN(Cc2cn3c(n2)CCCC3)S(C)(=O)=O)c1C(F)(F)F.
What is the InChIKey of N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide?
The InChIKey is JFTVFLJAEZTNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O2S/c1-21-14(15(16,17)18)11(7-19-21)8-23(26(2,24)25)10-12-9-22-6-4-3-5-13(22)20-12/h7,9H,3-6,8,10H2,1-2H3.
What are the key properties of N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide?
N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide has a molecular weight of 391.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 128993385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).