5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine

C23H22ClN7O5S — CID 176547859

IUPAC5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine
SMILESCCOC1=NC(c2nc3nc(Cl)c(NS(=O)(=O)N(C)C4CC4)nc3n2-c2c(O)cccc2OC)=C=C=C1
InChIInChI=1S/C23H22ClN7O5S/c1-4-36-17-10-5-7-14(25-17)22-28-21-23(31(22)18-15(32)8-6-9-16(18)35-3)27-20(19(24)26-21)29-37(33,34)30(2)13-11-12-13/h6,8-10,13,32H,4,11-12H2,1-3H3,(H,27,29)
InChIKeyGAGNHLLTAHILRE-UHFFFAOYSA-N
MW543.99 g/mol
LogP3.03
Rot. Bonds8

About 5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine

5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine (PubChem CID 176547859) has the molecular formula C23H22ClN7O5S and a molecular weight of 543.99 g/mol. Its IUPAC name is 5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine
PubChem CID176547859
Molecular FormulaC23H22ClN7O5S
Molecular Weight543.99 g/mol
Exact Mass543.11
IUPAC Name5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine
SMILESCCOC1=NC(c2nc3nc(Cl)c(NS(=O)(=O)N(C)C4CC4)nc3n2-c2c(O)cccc2OC)=C=C=C1
InChIInChI=1S/C23H22ClN7O5S/c1-4-36-17-10-5-7-14(25-17)22-28-21-23(31(22)18-15(32)8-6-9-16(18)35-3)27-20(19(24)26-21)29-37(33,34)30(2)13-11-12-13/h6,8-10,13,32H,4,11-12H2,1-3H3,(H,27,29)
InChIKeyGAGNHLLTAHILRE-UHFFFAOYSA-N
XLogP3.03
TPSA144.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.99
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine?
The IUPAC name of 5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine (CID 176547859) is 5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine.
What is the SMILES notation for 5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine?
The canonical SMILES for 5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine is CCOC1=NC(c2nc3nc(Cl)c(NS(=O)(=O)N(C)C4CC4)nc3n2-c2c(O)cccc2OC)=C=C=C1.
What is the InChIKey of 5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine?
The InChIKey is GAGNHLLTAHILRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O5S/c1-4-36-17-10-5-7-14(25-17)22-28-21-23(31(22)18-15(32)8-6-9-16(18)35-3)27-20(19(24)26-21)29-37(33,34)30(2)13-11-12-13/h6,8-10,13,32H,4,11-12H2,1-3H3,(H,27,29).
What are the key properties of 5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine?
5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine has a molecular weight of 543.99 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[cyclopropyl(methyl)sulfamoyl]amino]-2-(6-ethoxy-2-pyridinyl)-1-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-b]pyrazine is sourced from PubChem (CID 176547859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).