N-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide

C21H21FN6O5S — CID 146463237

IUPACN-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
SMILESCCOc1cccc(-c2nc3nc(F)c(NS(C)(=O)=O)nc3n2-c2c(OC)cccc2OC)n1
InChIInChI=1S/C21H21FN6O5S/c1-5-33-15-11-6-8-12(23-15)20-26-19-21(25-18(17(22)24-19)27-34(4,29)30)28(20)16-13(31-2)9-7-10-14(16)32-3/h6-11H,5H2,1-4H3,(H,25,27)
InChIKeyBPLVJFUZGYCEPR-UHFFFAOYSA-N
MW488.50 g/mol
LogP2.80
Rot. Bonds8

About N-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide

N-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide (PubChem CID 146463237) has the molecular formula C21H21FN6O5S and a molecular weight of 488.50 g/mol. Its IUPAC name is N-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
PubChem CID146463237
Molecular FormulaC21H21FN6O5S
Molecular Weight488.50 g/mol
Exact Mass488.13
IUPAC NameN-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
SMILESCCOc1cccc(-c2nc3nc(F)c(NS(C)(=O)=O)nc3n2-c2c(OC)cccc2OC)n1
InChIInChI=1S/C21H21FN6O5S/c1-5-33-15-11-6-8-12(23-15)20-26-19-21(25-18(17(22)24-19)27-34(4,29)30)28(20)16-13(31-2)9-7-10-14(16)32-3/h6-11H,5H2,1-4H3,(H,25,27)
InChIKeyBPLVJFUZGYCEPR-UHFFFAOYSA-N
XLogP2.80
TPSA130.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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
N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-1-(3-fluoro-2-pyridinyl)methanesulfonamide;molecular hydrogen
CID 167674783
[5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
CID 175806574
5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-6-[(4-fluorophenyl)methylsulfonylmethyl]imidazo[4,5-b]pyrazine
CID 164968634
N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide
CID 146509427
2-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-4-(difluoromethyl)benzenesulfonamide
CID 175729155
3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-[(5-fluoropyrimidin-2-yl)methylsulfonylmethyl]imidazo[4,5-b]pyrazine
CID 165098917
1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide
CID 146509396
1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-amine
CID 146463242
5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-6-[(3-fluorophenyl)methylsulfonylmethyl]imidazo[4,5-b]pyrazine
CID 165104258
N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]-4-hydroxypyridin-1-ium-1-sulfonamide
CID 166002238
5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-N-[(3-fluoro-4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyrazin-6-amine
CID 146509513

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide?
The IUPAC name of N-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide (CID 146463237) is N-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide is CCOc1cccc(-c2nc3nc(F)c(NS(C)(=O)=O)nc3n2-c2c(OC)cccc2OC)n1.
What is the InChIKey of N-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide?
The InChIKey is BPLVJFUZGYCEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O5S/c1-5-33-15-11-6-8-12(23-15)20-26-19-21(25-18(17(22)24-19)27-34(4,29)30)28(20)16-13(31-2)9-7-10-14(16)32-3/h6-11H,5H2,1-4H3,(H,25,27).
What are the key properties of N-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide?
N-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide has a molecular weight of 488.50 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide is sourced from PubChem (CID 146463237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).