N-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide

C19H22F3N5O3S — CID 23433877

IUPACN-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1nc(N)c2ncn(CCCCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2c1C
InChIInChI=1S/C19H22F3N5O3S/c1-12-13(2)26-18(23)16-17(12)27(11-24-16)10-4-3-9-25-31(28,29)15-7-5-14(6-8-15)30-19(20,21)22/h5-8,11,25H,3-4,9-10H2,1-2H3,(H2,23,26)
InChIKeyZLHNDVKDCSCJRI-UHFFFAOYSA-N
MW457.48 g/mol
LogP3.29
Rot. Bonds8

About N-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 23433877) has the molecular formula C19H22F3N5O3S and a molecular weight of 457.48 g/mol. Its IUPAC name is N-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID23433877
Molecular FormulaC19H22F3N5O3S
Molecular Weight457.48 g/mol
Exact Mass457.14
IUPAC NameN-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1nc(N)c2ncn(CCCCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2c1C
InChIInChI=1S/C19H22F3N5O3S/c1-12-13(2)26-18(23)16-17(12)27(11-24-16)10-4-3-9-25-31(28,29)15-7-5-14(6-8-15)30-19(20,21)22/h5-8,11,25H,3-4,9-10H2,1-2H3,(H2,23,26)
InChIKeyZLHNDVKDCSCJRI-UHFFFAOYSA-N
XLogP3.29
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzamide
CID 22729629
1-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-3-(benzenesulfonyl)urea
CID 22729700
N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 20613683
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8824051
N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 11509340
N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide
CID 10362916
4-(trifluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3346091
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
[4-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butylamino]sulfanylphenyl]imino-[4-(dimethylamino)phenyl]azanium
CID 163513909
N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide
CID 20613684
N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 9301745

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 23433877) is N-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide is Cc1nc(N)c2ncn(CCCCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2c1C.
What is the InChIKey of N-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ZLHNDVKDCSCJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O3S/c1-12-13(2)26-18(23)16-17(12)27(11-24-16)10-4-3-9-25-31(28,29)15-7-5-14(6-8-15)30-19(20,21)22/h5-8,11,25H,3-4,9-10H2,1-2H3,(H2,23,26).
What are the key properties of N-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 457.48 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 23433877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).