N,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid

C15H23F3N4O6S — CID 118743390

IUPACN,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)COCC1CN(S(C)(=O)=O)Cc2ncn(C)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C13H22N4O4S.C2HF3O2/c1-15(2)12(18)8-21-7-10-5-17(22(4,19)20)6-11-13(10)16(3)9-14-11;3-2(4,5)1(6)7/h9-10H,5-8H2,1-4H3;(H,6,7)
InChIKeyIOECZRGIJFPCCI-UHFFFAOYSA-N
MW444.43 g/mol
LogP0.02
Rot. Bonds5

About N,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 118743390) has the molecular formula C15H23F3N4O6S and a molecular weight of 444.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid
PubChem CID118743390
Molecular FormulaC15H23F3N4O6S
Molecular Weight444.43 g/mol
Exact Mass444.13
IUPAC NameN,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)COCC1CN(S(C)(=O)=O)Cc2ncn(C)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C13H22N4O4S.C2HF3O2/c1-15(2)12(18)8-21-7-10-5-17(22(4,19)20)6-11-13(10)16(3)9-14-11;3-2(4,5)1(6)7/h9-10H,5-8H2,1-4H3;(H,6,7)
InChIKeyIOECZRGIJFPCCI-UHFFFAOYSA-N
XLogP0.02
TPSA122.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

ethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739098
ethyl 1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739103
N,N-dimethyl-2-[[1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide
CID 118739393
2-[[5-[2-(dimethylamino)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide
CID 118739394
N,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide
CID 118743391
2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide
CID 118746019
1-(cyclopropylmethyl)-7-(methoxymethyl)-N,N-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-sulfonamide;2,2,2-trifluoroacetic acid
CID 118743203
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 118743205
5-ethylsulfonyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 118745002
2,2,2-trifluoroacetic acid;N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 118745008
2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746018
5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746703

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid (CID 118743390) is N,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)COCC1CN(S(C)(=O)=O)Cc2ncn(C)c21.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is IOECZRGIJFPCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S.C2HF3O2/c1-15(2)12(18)8-21-7-10-5-17(22(4,19)20)6-11-13(10)16(3)9-14-11;3-2(4,5)1(6)7/h9-10H,5-8H2,1-4H3;(H,6,7).
What are the key properties of N,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 444.43 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).