N-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide

C27H36N6O3S — CID 170417153

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide
SMILESCCc1nc2c(C)cc(C)nc2n1CC1CCN(C2=CCCC=C2S(=O)(=O)Nc2noc(C)c2C)CC1
InChIInChI=1S/C27H36N6O3S/c1-6-24-29-25-17(2)15-18(3)28-27(25)33(24)16-21-11-13-32(14-12-21)22-9-7-8-10-23(22)37(34,35)31-26-19(4)20(5)36-30-26/h9-10,15,21H,6-8,11-14,16H2,1-5H3,(H,30,31)
InChIKeySOAMIOIIDQPTKS-UHFFFAOYSA-N
MW524.69 g/mol
LogP4.93
Rot. Bonds7

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide (PubChem CID 170417153) has the molecular formula C27H36N6O3S and a molecular weight of 524.69 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide
PubChem CID170417153
Molecular FormulaC27H36N6O3S
Molecular Weight524.69 g/mol
Exact Mass524.26
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide
SMILESCCc1nc2c(C)cc(C)nc2n1CC1CCN(C2=CCCC=C2S(=O)(=O)Nc2noc(C)c2C)CC1
InChIInChI=1S/C27H36N6O3S/c1-6-24-29-25-17(2)15-18(3)28-27(25)33(24)16-21-11-13-32(14-12-21)22-9-7-8-10-23(22)37(34,35)31-26-19(4)20(5)36-30-26/h9-10,15,21H,6-8,11-14,16H2,1-5H3,(H,30,31)
InChIKeySOAMIOIIDQPTKS-UHFFFAOYSA-N
XLogP4.93
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.69
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methyl-1,2-oxazole-5-sulfonamide
CID 25051649
2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 142021136
N-[2-[2-[2-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethylamino]ethyl]acetamide
CID 69179727
N-tert-butyl-6-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-methylazepan-3-yl]-2-methyloctane-3-sulfonamide
CID 175618569
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethylaminomethyl)-4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzenesulfonamide
CID 59917086
2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 150784764
[4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride
CID 69007934
2-[4-[(3-butyl-1-cyclohexyl-5-oxo-1,2,4-triazol-4-yl)methyl]-2-methylphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 167442636
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline
CID 23156166
N-(2-bromophenyl)sulfonyl-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide
CID 54192793
methyl 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-fluoroprop-2-enoate
CID 69005640
N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide
CID 167346350

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide (CID 170417153) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide is CCc1nc2c(C)cc(C)nc2n1CC1CCN(C2=CCCC=C2S(=O)(=O)Nc2noc(C)c2C)CC1.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is SOAMIOIIDQPTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O3S/c1-6-24-29-25-17(2)15-18(3)28-27(25)33(24)16-21-11-13-32(14-12-21)22-9-7-8-10-23(22)37(34,35)31-26-19(4)20(5)36-30-26/h9-10,15,21H,6-8,11-14,16H2,1-5H3,(H,30,31).
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 524.69 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 170417153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).