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

C22H19ClN6O5S — CID 176547934

IUPACN-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]cyclopropanesulfonamide
SMILESCCOC1=NC(c2nc3nc(Cl)c(NS(=O)(=O)C4CC4)nc3n2-c2c(O)cccc2OC)=C=C=C1
InChIInChI=1S/C22H19ClN6O5S/c1-3-34-16-9-4-6-13(24-16)21-27-20-22(29(21)17-14(30)7-5-8-15(17)33-2)26-19(18(23)25-20)28-35(31,32)12-10-11-12/h5,7-9,12,30H,3,10-11H2,1-2H3,(H,26,28)
InChIKeyYTZCKILMHWPROD-UHFFFAOYSA-N
MW514.95 g/mol
LogP3.19
Rot. Bonds7

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

N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]cyclopropanesulfonamide (PubChem CID 176547934) has the molecular formula C22H19ClN6O5S and a molecular weight of 514.95 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]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]cyclopropanesulfonamide
PubChem CID176547934
Molecular FormulaC22H19ClN6O5S
Molecular Weight514.95 g/mol
Exact Mass514.08
IUPAC NameN-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]cyclopropanesulfonamide
SMILESCCOC1=NC(c2nc3nc(Cl)c(NS(=O)(=O)C4CC4)nc3n2-c2c(O)cccc2OC)=C=C=C1
InChIInChI=1S/C22H19ClN6O5S/c1-3-34-16-9-4-6-13(24-16)21-27-20-22(29(21)17-14(30)7-5-8-15(17)33-2)26-19(18(23)25-20)28-35(31,32)12-10-11-12/h5,7-9,12,30H,3,10-11H2,1-2H3,(H,26,28)
InChIKeyYTZCKILMHWPROD-UHFFFAOYSA-N
XLogP3.19
TPSA140.82 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.95
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
CID 176547858
5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine
CID 176547859
N-[2-(6-ethoxy-2-pyridinyl)-3-(2-hydroxy-6-methoxyphenyl)-6-(phenylmethoxymethyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide
CID 176543843
2-[2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol
CID 167034462
2-[5-chloro-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxyphenol
CID 167034535
2-[2-(6-ethoxy-2-pyridinyl)-5-(2-phenylethynyl)imidazo[4,5-b]pyrazin-3-yl]-3-methoxyphenol
CID 167034149
N-[6-(6-ethoxy-2-pyridinyl)-5-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-c]pyridazin-3-yl]-1-(4-fluorophenyl)methanesulfonamide
CID 176547897
N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-1-[1-(oxan-2-yloxy)cyclopropyl]methanesulfonamide
CID 146464028
5-(6-cyclopropyloxy-2-pyridinyl)-4-(2-hydroxy-6-methoxyphenyl)-N-(pyrimidin-2-ylmethylsulfonyl)-1,2,4-triazole-3-carboxamide
CID 176545074
2-(5-fluoropyrimidin-2-yl)-N-[4-(2-hydroxy-6-methoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]ethanesulfonamide
CID 126561669
N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen
CID 167582406
1-[[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]amino]sulfanylpiperidin-4-ol
CID 146509350

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]cyclopropanesulfonamide?
The IUPAC name of N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]cyclopropanesulfonamide (CID 176547934) is N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]cyclopropanesulfonamide.
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]cyclopropanesulfonamide?
The canonical SMILES for N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]cyclopropanesulfonamide is CCOC1=NC(c2nc3nc(Cl)c(NS(=O)(=O)C4CC4)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]cyclopropanesulfonamide?
The InChIKey is YTZCKILMHWPROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O5S/c1-3-34-16-9-4-6-13(24-16)21-27-20-22(29(21)17-14(30)7-5-8-15(17)33-2)26-19(18(23)25-20)28-35(31,32)12-10-11-12/h5,7-9,12,30H,3,10-11H2,1-2H3,(H,26,28).
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]cyclopropanesulfonamide?
N-[5-chloro-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazin-6-yl]cyclopropanesulfonamide has a molecular weight of 514.95 g/mol, XLogP of 3.19, 7 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]cyclopropanesulfonamide is sourced from PubChem (CID 176547934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).