1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine

C132H104N16O14S4 — CID 160577091

IUPAC1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(c2)c(-c2cn[nH]c2)cn3S(=O)(=O)c2ccccc2)cc1.COc1ccc(-c2cnc3c(c2)c(-c2cn[nH]c2)cn3S(=O)(=O)c2ccccc2)cc1OC.COc1ccc(-c2cnc3c(c2)c(-c2cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c2)cn3S(=O)(=O)c2ccccc2)cc1.COc1ccc(-c2cnc3c(c2)c(-c2cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c2)cn3S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C43H34N4O4S.C42H32N4O3S.C24H20N4O4S.C23H18N4O3S/c1-50-40-24-23-31(26-41(40)51-2)32-25-38-39(30-46(42(38)44-27-32)52(48,49)37-21-13-6-14-22-37)33-28-45-47(29-33)43(34-15-7-3-8-16-34,35-17-9-4-10-18-35)36-19-11-5-12-20-36;1-49-37-24-22-31(23-25-37)32-26-39-40(30-45(41(39)43-27-32)50(47,48)38-20-12-5-13-21-38)33-28-44-46(29-33)42(34-14-6-2-7-15-34,35-16-8-3-9-17-35)36-18-10-4-11-19-36;1-31-22-9-8-16(11-23(22)32-2)17-10-20-21(18-13-26-27-14-18)15-28(24(20)25-12-17)33(29,30)19-6-4-3-5-7-19;1-30-19-9-7-16(8-10-19)17-11-21-22(18-13-25-26-14-18)15-27(23(21)24-12-17)31(28,29)20-5-3-2-4-6-20/h3-30H,1-2H3;2-30H,1H3;3-15H,1-2H3,(H,26,27);2-15H,1H3,(H,25,26)
InChIKeyRBHGRALZEWDNMP-UHFFFAOYSA-N
MW2266.65 g/mol
LogP26.00
Rot. Bonds30

About 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 160577091) has the molecular formula C132H104N16O14S4 and a molecular weight of 2266.65 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID160577091
Molecular FormulaC132H104N16O14S4
Molecular Weight2266.65 g/mol
Exact Mass2264.68
IUPAC Name1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(c2)c(-c2cn[nH]c2)cn3S(=O)(=O)c2ccccc2)cc1.COc1ccc(-c2cnc3c(c2)c(-c2cn[nH]c2)cn3S(=O)(=O)c2ccccc2)cc1OC.COc1ccc(-c2cnc3c(c2)c(-c2cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c2)cn3S(=O)(=O)c2ccccc2)cc1.COc1ccc(-c2cnc3c(c2)c(-c2cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c2)cn3S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C43H34N4O4S.C42H32N4O3S.C24H20N4O4S.C23H18N4O3S/c1-50-40-24-23-31(26-41(40)51-2)32-25-38-39(30-46(42(38)44-27-32)52(48,49)37-21-13-6-14-22-37)33-28-45-47(29-33)43(34-15-7-3-8-16-34,35-17-9-4-10-18-35)36-19-11-5-12-20-36;1-49-37-24-22-31(23-25-37)32-26-39-40(30-45(41(39)43-27-32)50(47,48)38-20-12-5-13-21-38)33-28-44-46(29-33)42(34-14-6-2-7-15-34,35-16-8-3-9-17-35)36-18-10-4-11-19-36;1-31-22-9-8-16(11-23(22)32-2)17-10-20-21(18-13-26-27-14-18)15-28(24(20)25-12-17)33(29,30)19-6-4-3-5-7-19;1-30-19-9-7-16(8-10-19)17-11-21-22(18-13-25-26-14-18)15-27(23(21)24-12-17)31(28,29)20-5-3-2-4-6-20/h3-30H,1-2H3;2-30H,1H3;3-15H,1-2H3,(H,26,27);2-15H,1H3,(H,25,26)
InChIKeyRBHGRALZEWDNMP-UHFFFAOYSA-N
XLogP26.00
TPSA356.22 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002266.65
LogP ≤ 526.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine (CID 160577091) is 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine is COc1ccc(-c2cnc3c(c2)c(-c2cn[nH]c2)cn3S(=O)(=O)c2ccccc2)cc1.COc1ccc(-c2cnc3c(c2)c(-c2cn[nH]c2)cn3S(=O)(=O)c2ccccc2)cc1OC.COc1ccc(-c2cnc3c(c2)c(-c2cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c2)cn3S(=O)(=O)c2ccccc2)cc1.COc1ccc(-c2cnc3c(c2)c(-c2cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c2)cn3S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is RBHGRALZEWDNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N4O4S.C42H32N4O3S.C24H20N4O4S.C23H18N4O3S/c1-50-40-24-23-31(26-41(40)51-2)32-25-38-39(30-46(42(38)44-27-32)52(48,49)37-21-13-6-14-22-37)33-28-45-47(29-33)43(34-15-7-3-8-16-34,35-17-9-4-10-18-35)36-19-11-5-12-20-36;1-49-37-24-22-31(23-25-37)32-26-39-40(30-45(41(39)43-27-32)50(47,48)38-20-12-5-13-21-38)33-28-44-46(29-33)42(34-14-6-2-7-15-34,35-16-8-3-9-17-35)36-18-10-4-11-19-36;1-31-22-9-8-16(11-23(22)32-2)17-10-20-21(18-13-26-27-14-18)15-28(24(20)25-12-17)33(29,30)19-6-4-3-5-7-19;1-30-19-9-7-16(8-10-19)17-11-21-22(18-13-25-26-14-18)15-27(23(21)24-12-17)31(28,29)20-5-3-2-4-6-20/h3-30H,1-2H3;2-30H,1H3;3-15H,1-2H3,(H,26,27);2-15H,1H3,(H,25,26).
What are the key properties of 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 2266.65 g/mol, XLogP of 26.00, 30 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 160577091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).