N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide

C24H26N4O3S — CID 42602700

IUPACN-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide
SMILESCCOc1ccc(-n2cnc3cc(N(Cc4ccc(CC)cc4)S(C)(=O)=O)cnc32)cc1
InChIInChI=1S/C24H26N4O3S/c1-4-18-6-8-19(9-7-18)16-28(32(3,29)30)21-14-23-24(25-15-21)27(17-26-23)20-10-12-22(13-11-20)31-5-2/h6-15,17H,4-5,16H2,1-3H3
InChIKeyDVWRYGBEYAQRRH-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.35
Rot. Bonds8

About N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide

N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide (PubChem CID 42602700) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide
PubChem CID42602700
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide
SMILESCCOc1ccc(-n2cnc3cc(N(Cc4ccc(CC)cc4)S(C)(=O)=O)cnc32)cc1
InChIInChI=1S/C24H26N4O3S/c1-4-18-6-8-19(9-7-18)16-28(32(3,29)30)21-14-23-24(25-15-21)27(17-26-23)20-10-12-22(13-11-20)31-5-2/h6-15,17H,4-5,16H2,1-3H3
InChIKeyDVWRYGBEYAQRRH-UHFFFAOYSA-N
XLogP4.35
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide?
The IUPAC name of N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide (CID 42602700) is N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide is CCOc1ccc(-n2cnc3cc(N(Cc4ccc(CC)cc4)S(C)(=O)=O)cnc32)cc1.
What is the InChIKey of N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide?
The InChIKey is DVWRYGBEYAQRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-4-18-6-8-19(9-7-18)16-28(32(3,29)30)21-14-23-24(25-15-21)27(17-26-23)20-10-12-22(13-11-20)31-5-2/h6-15,17H,4-5,16H2,1-3H3.
What are the key properties of N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide?
N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 42602700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).