N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide

C22H20N6O2S — CID 122608983

IUPACN-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide
SMILESCN(c1cccc(-c2cnc3[nH]cc(-c4ccc5ncn(C)c5c4)c3n2)c1)S(C)(=O)=O
InChIInChI=1S/C22H20N6O2S/c1-27-13-25-18-8-7-14(10-20(18)27)17-11-23-22-21(17)26-19(12-24-22)15-5-4-6-16(9-15)28(2)31(3,29)30/h4-13H,1-3H3,(H,23,24)
InChIKeyJQFXNBMAPWNJIZ-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.57
Rot. Bonds4

About N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide

N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide (PubChem CID 122608983) has the molecular formula C22H20N6O2S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide
PubChem CID122608983
Molecular FormulaC22H20N6O2S
Molecular Weight432.51 g/mol
Exact Mass432.14
IUPAC NameN-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide
SMILESCN(c1cccc(-c2cnc3[nH]cc(-c4ccc5ncn(C)c5c4)c3n2)c1)S(C)(=O)=O
InChIInChI=1S/C22H20N6O2S/c1-27-13-25-18-8-7-14(10-20(18)27)17-11-23-22-21(17)26-19(12-24-22)15-5-4-6-16(9-15)28(2)31(3,29)30/h4-13H,1-3H3,(H,23,24)
InChIKeyJQFXNBMAPWNJIZ-UHFFFAOYSA-N
XLogP3.57
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide
CID 122609020
N-[3-[7-(3-propan-2-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide
CID 122608910
N-[3-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-2-sulfonamide
CID 122608737
7-(3-tert-butylbenzimidazol-5-yl)-2-(3-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 122608955
5-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-cyclopropylpyrimidin-2-amine
CID 122670278
2-[3-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]thiazinane
CID 122671466
N-[3-[7-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide
CID 122608664
1-methyl-6-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzimidazole
CID 122608789
5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine
CID 158947619
2-[4-[7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]-1,2-thiazolidine 1,1-dioxide
CID 122670212
2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 122670217
N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
CID 117419923

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide (CID 122608983) is N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide is CN(c1cccc(-c2cnc3[nH]cc(-c4ccc5ncn(C)c5c4)c3n2)c1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide?
The InChIKey is JQFXNBMAPWNJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2S/c1-27-13-25-18-8-7-14(10-20(18)27)17-11-23-22-21(17)26-19(12-24-22)15-5-4-6-16(9-15)28(2)31(3,29)30/h4-13H,1-3H3,(H,23,24).
What are the key properties of N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide?
N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide has a molecular weight of 432.51 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 122608983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).