N-(4-methoxyphenyl)-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylbenzenesulfonamide

C28H27N5O4S — CID 11318531

IUPACN-(4-methoxyphenyl)-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(-c3cnc4nc(CCc5cc(OC)ccn5)[nH]c4c3)cc2)cc1
InChIInChI=1S/C28H27N5O4S/c1-33(22-7-9-23(36-2)10-8-22)38(34,35)25-11-4-19(5-12-25)20-16-26-28(30-18-20)32-27(31-26)13-6-21-17-24(37-3)14-15-29-21/h4-5,7-12,14-18H,6,13H2,1-3H3,(H,30,31,32)
InChIKeyIKPYMPLLJORCLT-UHFFFAOYSA-N
MW529.62 g/mol
LogP4.65
Rot. Bonds9

About N-(4-methoxyphenyl)-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylbenzenesulfonamide

N-(4-methoxyphenyl)-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylbenzenesulfonamide (PubChem CID 11318531) has the molecular formula C28H27N5O4S and a molecular weight of 529.62 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylbenzenesulfonamide
PubChem CID11318531
Molecular FormulaC28H27N5O4S
Molecular Weight529.62 g/mol
Exact Mass529.18
IUPAC NameN-(4-methoxyphenyl)-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(-c3cnc4nc(CCc5cc(OC)ccn5)[nH]c4c3)cc2)cc1
InChIInChI=1S/C28H27N5O4S/c1-33(22-7-9-23(36-2)10-8-22)38(34,35)25-11-4-19(5-12-25)20-16-26-28(30-18-20)32-27(31-26)13-6-21-17-24(37-3)14-15-29-21/h4-5,7-12,14-18H,6,13H2,1-3H3,(H,30,31,32)
InChIKeyIKPYMPLLJORCLT-UHFFFAOYSA-N
XLogP4.65
TPSA110.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylbenzenesulfonamide (CID 11318531) is N-(4-methoxyphenyl)-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylbenzenesulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccc(-c3cnc4nc(CCc5cc(OC)ccn5)[nH]c4c3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylbenzenesulfonamide?
The InChIKey is IKPYMPLLJORCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4S/c1-33(22-7-9-23(36-2)10-8-22)38(34,35)25-11-4-19(5-12-25)20-16-26-28(30-18-20)32-27(31-26)13-6-21-17-24(37-3)14-15-29-21/h4-5,7-12,14-18H,6,13H2,1-3H3,(H,30,31,32).
What are the key properties of N-(4-methoxyphenyl)-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylbenzenesulfonamide?
N-(4-methoxyphenyl)-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylbenzenesulfonamide has a molecular weight of 529.62 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 11318531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).