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

C32H34N6O3S — CID 11238602

IUPAC2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCN(CCc6ccccc6)CC5)cc4)cc3[nH]2)c1
InChIInChI=1S/C32H34N6O3S/c1-41-28-13-15-33-27(22-28)9-12-31-35-30-21-26(23-34-32(30)36-31)25-7-10-29(11-8-25)42(39,40)38-19-17-37(18-20-38)16-14-24-5-3-2-4-6-24/h2-8,10-11,13,15,21-23H,9,12,14,16-20H2,1H3,(H,34,35,36)
InChIKeyUXQFUHBKCGXENA-UHFFFAOYSA-N
MW582.73 g/mol
LogP4.36
Rot. Bonds10

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

2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 11238602) has the molecular formula C32H34N6O3S and a molecular weight of 582.73 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID11238602
Molecular FormulaC32H34N6O3S
Molecular Weight582.73 g/mol
Exact Mass582.24
IUPAC Name2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCN(CCc6ccccc6)CC5)cc4)cc3[nH]2)c1
InChIInChI=1S/C32H34N6O3S/c1-41-28-13-15-33-27(22-28)9-12-31-35-30-21-26(23-34-32(30)36-31)25-7-10-29(11-8-25)42(39,40)38-19-17-37(18-20-38)16-14-24-5-3-2-4-6-24/h2-8,10-11,13,15,21-23H,9,12,14,16-20H2,1H3,(H,34,35,36)
InChIKeyUXQFUHBKCGXENA-UHFFFAOYSA-N
XLogP4.36
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.73
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-{2-[5-(4-methoxyphenyl)-2-(pyridin-4-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825356
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-3-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825358
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825357
N-{2-[5-(4-methoxyphenyl)-2-(pyrazin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825359
2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-phenyl-1H-imidazo[4,5-b]pyridine
CID 10149857
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine
CID 10171540
4-[[[3-(3-Methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 25206490
N-(5-(3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl)benzenesulfonamide
CID 50925576
6-methoxy-3-(4-piperidin-1-ylmethyl-phenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole
CID 58266545
N-{[3-(2-methoxybenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}-2,4,6-trimethyl-1-benzenesulfonamide
CID 16031217
4-methyl-N-[4-[[3-(2-phenoxyphenyl)-8-imidazo[1,2-a]pyrazinyl]amino]phenyl]benzenesulfonamide
CID 46943717
6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 56669739

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]-1H-imidazo[4,5-b]pyridine (CID 11238602) is 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]-1H-imidazo[4,5-b]pyridine is COc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCN(CCc6ccccc6)CC5)cc4)cc3[nH]2)c1.
What is the InChIKey of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is UXQFUHBKCGXENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O3S/c1-41-28-13-15-33-27(22-28)9-12-31-35-30-21-26(23-34-32(30)36-31)25-7-10-29(11-8-25)42(39,40)38-19-17-37(18-20-38)16-14-24-5-3-2-4-6-24/h2-8,10-11,13,15,21-23H,9,12,14,16-20H2,1H3,(H,34,35,36).
What are the key properties of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]-1H-imidazo[4,5-b]pyridine?
2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 582.73 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 11238602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).