2,7-bis(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2,7-bis(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

C47H40N6O6S — CID 158491615

IUPAC2,7-bis(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2,7-bis(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1ccccc1-c1cnc2[nH]cc(-c3ccccc3OC)c2n1.COc1ccccc1-c1cnc2c(n1)c(-c1ccccc1OC)cn2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H23N3O4S.C20H17N3O2/c1-18-12-14-19(15-13-18)35(31,32)30-17-22(20-8-4-6-10-24(20)33-2)26-27(30)28-16-23(29-26)21-9-5-7-11-25(21)34-3;1-24-17-9-5-3-7-13(17)15-11-21-20-19(15)23-16(12-22-20)14-8-4-6-10-18(14)25-2/h4-17H,1-3H3;3-12H,1-2H3,(H,21,22)
InChIKeyHITNIBZYVHVNSZ-UHFFFAOYSA-N
MW816.94 g/mol
LogP9.64
Rot. Bonds10

About 2,7-bis(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2,7-bis(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

2,7-bis(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2,7-bis(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 158491615) has the molecular formula C47H40N6O6S and a molecular weight of 816.94 g/mol. Its IUPAC name is 2,7-bis(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2,7-bis(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2,7-bis(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2,7-bis(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID158491615
Molecular FormulaC47H40N6O6S
Molecular Weight816.94 g/mol
Exact Mass816.27
IUPAC Name2,7-bis(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2,7-bis(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1ccccc1-c1cnc2[nH]cc(-c3ccccc3OC)c2n1.COc1ccccc1-c1cnc2c(n1)c(-c1ccccc1OC)cn2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H23N3O4S.C20H17N3O2/c1-18-12-14-19(15-13-18)35(31,32)30-17-22(20-8-4-6-10-24(20)33-2)26-27(30)28-16-23(29-26)21-9-5-7-11-25(21)34-3;1-24-17-9-5-3-7-13(17)15-11-21-20-19(15)23-16(12-22-20)14-8-4-6-10-18(14)25-2/h4-17H,1-3H3;3-12H,1-2H3,(H,21,22)
InChIKeyHITNIBZYVHVNSZ-UHFFFAOYSA-N
XLogP9.64
TPSA143.34 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500816.94
LogP ≤ 59.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

N-{2-[5-(4-methoxyphenyl)-2-(pyridin-4-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825356
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-3-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825358
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825357
N-{2-[5-(4-methoxyphenyl)-2-(pyrazin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825359
N-(5-(3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl)benzenesulfonamide
CID 50925576
N-{[3-(2-methoxybenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}-2,4,6-trimethyl-1-benzenesulfonamide
CID 16031217
4-methyl-N-[4-[[3-(2-phenoxyphenyl)-8-imidazo[1,2-a]pyrazinyl]amino]phenyl]benzenesulfonamide
CID 46943717
N-(3-methoxyphenyl)-6-piperazin-1-ylsulfonyl-9H-pyrido[2,3-b]indol-4-amine
CID 76311267
4-[[6-(3-methoxyphenyl)-7H-purin-2-yl]amino]benzenesulfonamide
CID 137646645
4-[[6-(4-methoxyphenyl)-7H-purin-2-yl]amino]benzenesulfonamide
CID 137660394
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-3-methyl-1H-imidazo[1,2-a]pyrimidin-4-ium bromide
CID 155515415
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-3-methyl-1H-imidazo[1,2-a]pyridin-4-ium bromide
CID 155524884

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2,7-bis(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2,7-bis(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2,7-bis(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 158491615) is 2,7-bis(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2,7-bis(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2,7-bis(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2,7-bis(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2,7-bis(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2,7-bis(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is COc1ccccc1-c1cnc2[nH]cc(-c3ccccc3OC)c2n1.COc1ccccc1-c1cnc2c(n1)c(-c1ccccc1OC)cn2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2,7-bis(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2,7-bis(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is HITNIBZYVHVNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4S.C20H17N3O2/c1-18-12-14-19(15-13-18)35(31,32)30-17-22(20-8-4-6-10-24(20)33-2)26-27(30)28-16-23(29-26)21-9-5-7-11-25(21)34-3;1-24-17-9-5-3-7-13(17)15-11-21-20-19(15)23-16(12-22-20)14-8-4-6-10-18(14)25-2/h4-17H,1-3H3;3-12H,1-2H3,(H,21,22).
What are the key properties of 2,7-bis(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2,7-bis(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
2,7-bis(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2,7-bis(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 816.94 g/mol, XLogP of 9.64, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(2-methoxyphenyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;2,7-bis(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 158491615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).