N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide

C19H20F3N5O3S — CID 122633988

IUPACN-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide
SMILESCc1cc(-c2cc3c(nc(C(F)(F)F)n3CC3CC3)c(NS(C)(=O)=O)n2)cn(C)c1=O
InChIInChI=1S/C19H20F3N5O3S/c1-10-6-12(9-26(2)17(10)28)13-7-14-15(16(23-13)25-31(3,29)30)24-18(19(20,21)22)27(14)8-11-4-5-11/h6-7,9,11H,4-5,8H2,1-3H3,(H,23,25)
InChIKeyXWQMODVXSVUWQL-UHFFFAOYSA-N
MW455.46 g/mol
LogP2.91
Rot. Bonds5

About N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide

N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide (PubChem CID 122633988) has the molecular formula C19H20F3N5O3S and a molecular weight of 455.46 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide
PubChem CID122633988
Molecular FormulaC19H20F3N5O3S
Molecular Weight455.46 g/mol
Exact Mass455.12
IUPAC NameN-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide
SMILESCc1cc(-c2cc3c(nc(C(F)(F)F)n3CC3CC3)c(NS(C)(=O)=O)n2)cn(C)c1=O
InChIInChI=1S/C19H20F3N5O3S/c1-10-6-12(9-26(2)17(10)28)13-7-14-15(16(23-13)25-31(3,29)30)24-18(19(20,21)22)27(14)8-11-4-5-11/h6-7,9,11H,4-5,8H2,1-3H3,(H,23,25)
InChIKeyXWQMODVXSVUWQL-UHFFFAOYSA-N
XLogP2.91
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(cyclopropylmethyl)-7-ethylsulfonyl-2-methylbenzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 122623748
N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide
CID 122633945
5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one
CID 122549756
1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one
CID 118021347
5-[2-cyclopropyl-6-(ethylsulfonylmethyl)-1-methylbenzimidazol-4-yl]-1,3-dimethylpyridin-2-one
CID 147751988
tert-butyl (2S,3R)-2-[[3-(cyclopropylmethyl)-2-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-5-yl]methylamino]-3-hydroxybutanoate
CID 134248261
2-hydroxy-N-[4-[[4-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]sulfamoyl]phenyl]acetamide
CID 91366424
N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide
CID 122623685
5-[5-(1,1-difluorobutyl)-2-(methylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one
CID 148812031
N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide
CID 122623627
(3R)-3-[[6-(aminomethyl)-2-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-1-yl]methyl]piperidine-1-carbaldehyde
CID 139566782
1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 126582741

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide (CID 122633988) is N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide is Cc1cc(-c2cc3c(nc(C(F)(F)F)n3CC3CC3)c(NS(C)(=O)=O)n2)cn(C)c1=O.
What is the InChIKey of N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide?
The InChIKey is XWQMODVXSVUWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3S/c1-10-6-12(9-26(2)17(10)28)13-7-14-15(16(23-13)25-31(3,29)30)24-18(19(20,21)22)27(14)8-11-4-5-11/h6-7,9,11H,4-5,8H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide?
N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide has a molecular weight of 455.46 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide is sourced from PubChem (CID 122633988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).