N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide

C23H22N6O2S — CID 122609020

IUPACN-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(-c2cnc3[nH]cc(-c4ccc5ncn(C)c5c4)c3n2)c1
InChIInChI=1S/C23H22N6O2S/c1-3-9-32(30,31)28-17-6-4-5-16(10-17)20-13-25-23-22(27-20)18(12-24-23)15-7-8-19-21(11-15)29(2)14-26-19/h4-8,10-14,28H,3,9H2,1-2H3,(H,24,25)
InChIKeyJBOFRHGXXRLWHJ-UHFFFAOYSA-N
MW446.54 g/mol
LogP4.33
Rot. Bonds6

About N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide

N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide (PubChem CID 122609020) has the molecular formula C23H22N6O2S and a molecular weight of 446.54 g/mol. Its IUPAC name is N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide
PubChem CID122609020
Molecular FormulaC23H22N6O2S
Molecular Weight446.54 g/mol
Exact Mass446.15
IUPAC NameN-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(-c2cnc3[nH]cc(-c4ccc5ncn(C)c5c4)c3n2)c1
InChIInChI=1S/C23H22N6O2S/c1-3-9-32(30,31)28-17-6-4-5-16(10-17)20-13-25-23-22(27-20)18(12-24-23)15-7-8-19-21(11-15)29(2)14-26-19/h4-8,10-14,28H,3,9H2,1-2H3,(H,24,25)
InChIKeyJBOFRHGXXRLWHJ-UHFFFAOYSA-N
XLogP4.33
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide
CID 122608983
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
N-[3-[7-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide
CID 122608664
7-(3-tert-butylbenzimidazol-5-yl)-2-(3-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 122608955
7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine
CID 122670195
N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline
CID 143234929
7-(3-tert-butylbenzimidazol-5-yl)-2-[4-(4-ethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 122608698
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
1-methyl-6-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzimidazole
CID 122608789
N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide
CID 7524267

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide (CID 122609020) is N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(-c2cnc3[nH]cc(-c4ccc5ncn(C)c5c4)c3n2)c1.
What is the InChIKey of N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide?
The InChIKey is JBOFRHGXXRLWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2S/c1-3-9-32(30,31)28-17-6-4-5-16(10-17)20-13-25-23-22(27-20)18(12-24-23)15-7-8-19-21(11-15)29(2)14-26-19/h4-8,10-14,28H,3,9H2,1-2H3,(H,24,25).
What are the key properties of N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide?
N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide has a molecular weight of 446.54 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 122609020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).