N-(3-methyl-3-methylsulfonylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C15H22F3N3O3S — CID 154843058

IUPACN-(3-methyl-3-methylsulfonylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)(CCNC(=O)c1nc(C(F)(F)F)n2c1CCCC2)S(C)(=O)=O
InChIInChI=1S/C15H22F3N3O3S/c1-14(2,25(3,23)24)7-8-19-12(22)11-10-6-4-5-9-21(10)13(20-11)15(16,17)18/h4-9H2,1-3H3,(H,19,22)
InChIKeyMCISTZVRNNDGFT-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.18
Rot. Bonds5

About N-(3-methyl-3-methylsulfonylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-(3-methyl-3-methylsulfonylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 154843058) has the molecular formula C15H22F3N3O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is N-(3-methyl-3-methylsulfonylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-3-methylsulfonylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID154843058
Molecular FormulaC15H22F3N3O3S
Molecular Weight381.42 g/mol
Exact Mass381.13
IUPAC NameN-(3-methyl-3-methylsulfonylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)(CCNC(=O)c1nc(C(F)(F)F)n2c1CCCC2)S(C)(=O)=O
InChIInChI=1S/C15H22F3N3O3S/c1-14(2,25(3,23)24)7-8-19-12(22)11-10-6-4-5-9-21(10)13(20-11)15(16,17)18/h4-9H2,1-3H3,(H,19,22)
InChIKeyMCISTZVRNNDGFT-UHFFFAOYSA-N
XLogP2.18
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-3-methylsulfonylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(3-methyl-3-methylsulfonylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 154843058) is N-(3-methyl-3-methylsulfonylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(3-methyl-3-methylsulfonylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(3-methyl-3-methylsulfonylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CC(C)(CCNC(=O)c1nc(C(F)(F)F)n2c1CCCC2)S(C)(=O)=O.
What is the InChIKey of N-(3-methyl-3-methylsulfonylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is MCISTZVRNNDGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3S/c1-14(2,25(3,23)24)7-8-19-12(22)11-10-6-4-5-9-21(10)13(20-11)15(16,17)18/h4-9H2,1-3H3,(H,19,22).
What are the key properties of N-(3-methyl-3-methylsulfonylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
N-(3-methyl-3-methylsulfonylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-3-methylsulfonylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 154843058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).