2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide

C20H18N6O3S — CID 141246718

IUPAC2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide
SMILESCOc1nc(C)cnc1-n1ccnc1-c1ccc(-c2ncccc2S(N)(=O)=O)cc1
InChIInChI=1S/C20H18N6O3S/c1-13-12-24-19(20(25-13)29-2)26-11-10-23-18(26)15-7-5-14(6-8-15)17-16(30(21,27)28)4-3-9-22-17/h3-12H,1-2H3,(H2,21,27,28)
InChIKeyLCNWWESSUXJTIL-UHFFFAOYSA-N
MW422.47 g/mol
LogP2.36
Rot. Bonds5

About 2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide

2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide (PubChem CID 141246718) has the molecular formula C20H18N6O3S and a molecular weight of 422.47 g/mol. Its IUPAC name is 2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide
PubChem CID141246718
Molecular FormulaC20H18N6O3S
Molecular Weight422.47 g/mol
Exact Mass422.12
IUPAC Name2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide
SMILESCOc1nc(C)cnc1-n1ccnc1-c1ccc(-c2ncccc2S(N)(=O)=O)cc1
InChIInChI=1S/C20H18N6O3S/c1-13-12-24-19(20(25-13)29-2)26-11-10-23-18(26)15-7-5-14(6-8-15)17-16(30(21,27)28)4-3-9-22-17/h3-12H,1-2H3,(H2,21,27,28)
InChIKeyLCNWWESSUXJTIL-UHFFFAOYSA-N
XLogP2.36
TPSA125.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide
CID 91326938
4-[1-(3-methoxypyrazin-2-yl)imidazol-2-yl]aniline
CID 104516274
2-[4-(2-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
CID 21186338
2-(furan-3-yl)pyridine-3-sulfonamide
CID 154368111
2-(4-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572912
2-methylpropyl N-[[2-(4-butanoylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
CID 21186298
2-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-N-methylpyridine-3-sulfonamide
CID 59803396
methyl (E)-3-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)-(2-methylpropoxycarbonyl)sulfamoyl]-2-pyridinyl]phenyl]prop-2-enoate
CID 21186314
2-(2-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572908
3-[1-(3,6-dimethylpyrazin-2-yl)imidazol-2-yl]aniline
CID 61176241
2-(2,5-dimethylpyrazol-3-yl)oxypyridine-3-sulfonamide
CID 112573130
2-methoxy-5-methyl-3-phenylpyrazine
CID 13123635

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide?
The IUPAC name of 2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide (CID 141246718) is 2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide is COc1nc(C)cnc1-n1ccnc1-c1ccc(-c2ncccc2S(N)(=O)=O)cc1.
What is the InChIKey of 2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide?
The InChIKey is LCNWWESSUXJTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3S/c1-13-12-24-19(20(25-13)29-2)26-11-10-23-18(26)15-7-5-14(6-8-15)17-16(30(21,27)28)4-3-9-22-17/h3-12H,1-2H3,(H2,21,27,28).
What are the key properties of 2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide?
2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide has a molecular weight of 422.47 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 141246718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).