N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide

C21H26F3N5O3S — CID 23433813

IUPACN-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCCOCc1nc2c(N)nc(C)cc2n1CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H26F3N5O3S/c1-3-32-13-18-28-19-17(12-14(2)27-20(19)25)29(18)11-5-4-10-26-33(30,31)16-8-6-15(7-9-16)21(22,23)24/h6-9,12,26H,3-5,10-11,13H2,1-2H3,(H2,25,27)
InChIKeyMNLGSRLDWMGIHJ-UHFFFAOYSA-N
MW485.53 g/mol
LogP3.64
Rot. Bonds10

About N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide

N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 23433813) has the molecular formula C21H26F3N5O3S and a molecular weight of 485.53 g/mol. Its IUPAC name is N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID23433813
Molecular FormulaC21H26F3N5O3S
Molecular Weight485.53 g/mol
Exact Mass485.17
IUPAC NameN-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCCOCc1nc2c(N)nc(C)cc2n1CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H26F3N5O3S/c1-3-32-13-18-28-19-17(12-14(2)27-20(19)25)29(18)11-5-4-10-26-33(30,31)16-8-6-15(7-9-16)21(22,23)24/h6-9,12,26H,3-5,10-11,13H2,1-2H3,(H2,25,27)
InChIKeyMNLGSRLDWMGIHJ-UHFFFAOYSA-N
XLogP3.64
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]thiophene-2-sulfonamide
CID 23433821
N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]naphthalene-2-carboxamide
CID 22729666
N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]morpholine-4-carboxamide
CID 10194141
1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 22729795
2-(ethoxymethyl)-1,6-dimethylimidazo[4,5-c]pyridin-4-amine
CID 172604026
1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea
CID 22729809
[4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 20795125
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
N-[4-[4-(2-ethoxy-4-methylphenyl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 10210186
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 121074817
N-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 23433877
N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 11682252

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide (CID 23433813) is N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide is CCOCc1nc2c(N)nc(C)cc2n1CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MNLGSRLDWMGIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O3S/c1-3-32-13-18-28-19-17(12-14(2)27-20(19)25)29(18)11-5-4-10-26-33(30,31)16-8-6-15(7-9-16)21(22,23)24/h6-9,12,26H,3-5,10-11,13H2,1-2H3,(H2,25,27).
What are the key properties of N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 485.53 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 23433813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).