5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyaniline

C19H22FN3O4S — CID 170435729

IUPAC5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyaniline
SMILESCOc1cc2ncc(-c3cc(N)c(OC)c(F)c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C19H22FN3O4S/c1-19(2,3)28(24,25)16-10-23-14(9-22-17(23)8-15(16)26-4)11-6-12(20)18(27-5)13(21)7-11/h6-10H,21H2,1-5H3
InChIKeyGMLMVPWEVACPRV-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.31
Rot. Bonds4

About 5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyaniline

5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyaniline (PubChem CID 170435729) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyaniline.

Molecular Properties

Compound Name5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyaniline
PubChem CID170435729
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC Name5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyaniline
SMILESCOc1cc2ncc(-c3cc(N)c(OC)c(F)c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C19H22FN3O4S/c1-19(2,3)28(24,25)16-10-23-14(9-22-17(23)8-15(16)26-4)11-6-12(20)18(27-5)13(21)7-11/h6-10H,21H2,1-5H3
InChIKeyGMLMVPWEVACPRV-UHFFFAOYSA-N
XLogP3.31
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(6-(Tert-butylsulfonyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenol
CID 145957053
N-(5-(imidazo[1,2-a]pyrimidin-2-yl)-2-methoxyphenyl)benzenesulfonamide
CID 16187076
4-[6-[(4-methoxyphenyl)methylsulfanyl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline
CID 17759060
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 145949594
6-Tert-butylsulfonyl-3-(3-chloro-5-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 145951792
3-(6-Tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenol
CID 145952104
6-Tert-butylsulfonyl-7-methoxy-3-(2-methoxyphenyl)imidazo[1,2-a]pyridine
CID 145952200
4-(6-Tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-methoxyphenol
CID 145954389
6-[(1,1-Dimethylethyl)sulfonyl]-7-methoxy-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 145954774
4-(6-(Tert-butylsulfonyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-chlorophenol
CID 145957669
6-Tert-butylsulfonyl-7-methoxy-3-(3-methoxyphenyl)imidazo[1,2-a]pyridine
CID 145959394
4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide
CID 155568966

Frequently Asked Questions

What is the IUPAC name of 5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyaniline?
The IUPAC name of 5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyaniline (CID 170435729) is 5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyaniline.
What is the SMILES notation for 5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyaniline?
The canonical SMILES for 5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyaniline is COc1cc2ncc(-c3cc(N)c(OC)c(F)c3)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyaniline?
The InChIKey is GMLMVPWEVACPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-19(2,3)28(24,25)16-10-23-14(9-22-17(23)8-15(16)26-4)11-6-12(20)18(27-5)13(21)7-11/h6-10H,21H2,1-5H3.
What are the key properties of 5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyaniline?
5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyaniline has a molecular weight of 407.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyaniline is sourced from PubChem (CID 170435729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).