tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate

C28H38N4O5S2 — CID 178094104

IUPACtert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate
SMILESCOc1cc2ncc(-c3cccc(NS(=O)(=O)C4CCN(C(=O)OC(C)(C)C)CC4)c3)n2cc1SC(C)(C)C
InChIInChI=1S/C28H38N4O5S2/c1-27(2,3)37-26(33)31-13-11-21(12-14-31)39(34,35)30-20-10-8-9-19(15-20)22-17-29-25-16-23(36-7)24(18-32(22)25)38-28(4,5)6/h8-10,15-18,21,30H,11-14H2,1-7H3
InChIKeyVFMYVZLJHIVSBR-UHFFFAOYSA-N
MW574.77 g/mol
LogP6.04
Rot. Bonds6

About tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate

tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate (PubChem CID 178094104) has the molecular formula C28H38N4O5S2 and a molecular weight of 574.77 g/mol. Its IUPAC name is tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate
PubChem CID178094104
Molecular FormulaC28H38N4O5S2
Molecular Weight574.77 g/mol
Exact Mass574.23
IUPAC Nametert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate
SMILESCOc1cc2ncc(-c3cccc(NS(=O)(=O)C4CCN(C(=O)OC(C)(C)C)CC4)c3)n2cc1SC(C)(C)C
InChIInChI=1S/C28H38N4O5S2/c1-27(2,3)37-26(33)31-13-11-21(12-14-31)39(34,35)30-20-10-8-9-19(15-20)22-17-29-25-16-23(36-7)24(18-32(22)25)38-28(4,5)6/h8-10,15-18,21,30H,11-14H2,1-7H3
InChIKeyVFMYVZLJHIVSBR-UHFFFAOYSA-N
XLogP6.04
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide
CID 172631453
tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166961888
3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline
CID 170616433
[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone
CID 172631516
tert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate
CID 140745912
tert-butyl 4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 67980046
tert-butyl 4-[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]piperazine-1-carboxylate;ethane;molecular hydrogen
CID 143706940
N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide
CID 172631787
tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166961772
5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline
CID 170616490
5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxy-N-(oxetan-3-ylsulfanyl)aniline
CID 178093970
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrazole-5-carboxylic acid
CID 172631066

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate (CID 178094104) is tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate is COc1cc2ncc(-c3cccc(NS(=O)(=O)C4CCN(C(=O)OC(C)(C)C)CC4)c3)n2cc1SC(C)(C)C.
What is the InChIKey of tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate?
The InChIKey is VFMYVZLJHIVSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O5S2/c1-27(2,3)37-26(33)31-13-11-21(12-14-31)39(34,35)30-20-10-8-9-19(15-20)22-17-29-25-16-23(36-7)24(18-32(22)25)38-28(4,5)6/h8-10,15-18,21,30H,11-14H2,1-7H3.
What are the key properties of tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate has a molecular weight of 574.77 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 178094104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).