N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide

C20H17ClN6O5S — CID 176547858

IUPACN-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
SMILESCCOC1=NC(c2nc3nc(Cl)c(NS(C)(=O)=O)nc3n2-c2c(O)cccc2OC)=C=C=C1
InChIInChI=1S/C20H17ClN6O5S/c1-4-32-14-10-5-7-11(22-14)19-25-18-20(24-17(16(21)23-18)26-33(3,29)30)27(19)15-12(28)8-6-9-13(15)31-2/h6,8-10,28H,4H2,1-3H3,(H,24,26)
InChIKeyYFJLIMMGMKAZDH-UHFFFAOYSA-N
MW488.91 g/mol
LogP2.65
Rot. Bonds6

About N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide

N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide (PubChem CID 176547858) has the molecular formula C20H17ClN6O5S and a molecular weight of 488.91 g/mol. Its IUPAC name is N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
PubChem CID176547858
Molecular FormulaC20H17ClN6O5S
Molecular Weight488.91 g/mol
Exact Mass488.07
IUPAC NameN-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
SMILESCCOC1=NC(c2nc3nc(Cl)c(NS(C)(=O)=O)nc3n2-c2c(O)cccc2OC)=C=C=C1
InChIInChI=1S/C20H17ClN6O5S/c1-4-32-14-10-5-7-11(22-14)19-25-18-20(24-17(16(21)23-18)26-33(3,29)30)27(19)15-12(28)8-6-9-13(15)31-2/h6,8-10,28H,4H2,1-3H3,(H,24,26)
InChIKeyYFJLIMMGMKAZDH-UHFFFAOYSA-N
XLogP2.65
TPSA140.82 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.91
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide?
The IUPAC name of N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide (CID 176547858) is N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide?
The canonical SMILES for N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide is CCOC1=NC(c2nc3nc(Cl)c(NS(C)(=O)=O)nc3n2-c2c(O)cccc2OC)=C=C=C1.
What is the InChIKey of N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide?
The InChIKey is YFJLIMMGMKAZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O5S/c1-4-32-14-10-5-7-11(22-14)19-25-18-20(24-17(16(21)23-18)26-33(3,29)30)27(19)15-12(28)8-6-9-13(15)31-2/h6,8-10,28H,4H2,1-3H3,(H,24,26).
What are the key properties of N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide?
N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide has a molecular weight of 488.91 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide is sourced from PubChem (CID 176547858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).