6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine

C32H34N6O3S — CID 11786587

IUPAC6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCN(c6c(C)cccc6C)CC5)cc4)cc3[nH]2)c1
InChIInChI=1S/C32H34N6O3S/c1-22-5-4-6-23(2)31(22)37-15-17-38(18-16-37)42(39,40)28-10-7-24(8-11-28)25-19-29-32(34-21-25)36-30(35-29)12-9-26-20-27(41-3)13-14-33-26/h4-8,10-11,13-14,19-21H,9,12,15-18H2,1-3H3,(H,34,35,36)
InChIKeyGCVOIDGBTSJEFB-UHFFFAOYSA-N
MW582.73 g/mol
LogP4.94
Rot. Bonds8

About 6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine

6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 11786587) has the molecular formula C32H34N6O3S and a molecular weight of 582.73 g/mol. Its IUPAC name is 6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
PubChem CID11786587
Molecular FormulaC32H34N6O3S
Molecular Weight582.73 g/mol
Exact Mass582.24
IUPAC Name6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCN(c6c(C)cccc6C)CC5)cc4)cc3[nH]2)c1
InChIInChI=1S/C32H34N6O3S/c1-22-5-4-6-23(2)31(22)37-15-17-38(18-16-37)42(39,40)28-10-7-24(8-11-28)25-19-29-32(34-21-25)36-30(35-29)12-9-26-20-27(41-3)13-14-33-26/h4-8,10-11,13-14,19-21H,9,12,15-18H2,1-3H3,(H,34,35,36)
InChIKeyGCVOIDGBTSJEFB-UHFFFAOYSA-N
XLogP4.94
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.73
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]sulfonylmorpholine
CID 11202425
1-(2,6-dimethylphenyl)-4-[4-[6-[2-(1H-imidazol-2-yl)ethyl]-4-methoxy-2-pyridinyl]phenyl]sulfonylpiperazine
CID 69288613
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 90517128
4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 17413776
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
CID 91670238
4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 53071564
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 46081977
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
6-[4-(azetidin-1-ylsulfonyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 91214113
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine (CID 11786587) is 6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine is COc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCN(c6c(C)cccc6C)CC5)cc4)cc3[nH]2)c1.
What is the InChIKey of 6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is GCVOIDGBTSJEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O3S/c1-22-5-4-6-23(2)31(22)37-15-17-38(18-16-37)42(39,40)28-10-7-24(8-11-28)25-19-29-32(34-21-25)36-30(35-29)12-9-26-20-27(41-3)13-14-33-26/h4-8,10-11,13-14,19-21H,9,12,15-18H2,1-3H3,(H,34,35,36).
What are the key properties of 6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 582.73 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 11786587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).