1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane

C73H69N7O4S4Si — CID 157182607

IUPAC1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane
SMILESCC(C)[SiH](C(C)C)C(C)C.O=S(=O)(c1ccccc1)n1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(Sc3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(C2=CCN=C2)c2cc(Sc3ccccc3)cnc21
InChIInChI=1S/C41H30N4O2S2.C23H17N3O2S2.C9H22Si/c46-49(47,37-24-14-5-15-25-37)44-30-39(38-26-36(28-42-40(38)44)48-35-22-12-4-13-23-35)31-27-43-45(29-31)41(32-16-6-1-7-17-32,33-18-8-2-9-19-33)34-20-10-3-11-21-34;27-30(28,20-9-5-2-6-10-20)26-16-22(17-11-12-24-14-17)21-13-19(15-25-23(21)26)29-18-7-3-1-4-8-18;1-7(2)10(8(3)4)9(5)6/h1-30H;1-11,13-16H,12H2;7-10H,1-6H3
InChIKeyAOSXQCVBYGNTFS-UHFFFAOYSA-N
MW1264.75 g/mol
LogP17.46
Rot. Bonds17

About 1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane

1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane (PubChem CID 157182607) has the molecular formula C73H69N7O4S4Si and a molecular weight of 1264.75 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane
PubChem CID157182607
Molecular FormulaC73H69N7O4S4Si
Molecular Weight1264.75 g/mol
Exact Mass1263.41
IUPAC Name1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane
SMILESCC(C)[SiH](C(C)C)C(C)C.O=S(=O)(c1ccccc1)n1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(Sc3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(C2=CCN=C2)c2cc(Sc3ccccc3)cnc21
InChIInChI=1S/C41H30N4O2S2.C23H17N3O2S2.C9H22Si/c46-49(47,37-24-14-5-15-25-37)44-30-39(38-26-36(28-42-40(38)44)48-35-22-12-4-13-23-35)31-27-43-45(29-31)41(32-16-6-1-7-17-32,33-18-8-2-9-19-33)34-20-10-3-11-21-34;27-30(28,20-9-5-2-6-10-20)26-16-22(17-11-12-24-14-17)21-13-19(15-25-23(21)26)29-18-7-3-1-4-8-18;1-7(2)10(8(3)4)9(5)6/h1-30H;1-11,13-16H,12H2;7-10H,1-6H3
InChIKeyAOSXQCVBYGNTFS-UHFFFAOYSA-N
XLogP17.46
TPSA134.10 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001264.75
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane with MolForge

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Related Compounds

1-(Benzenesulfonyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 57830145
1-(Benzenesulfinyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 71057584
6-[4-(1,1-Difluoropropyl)phenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine;6-[4-(1,1-difluoro-2-pyrrolidin-1-ylethyl)phenyl]-3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
CID 160833260
5-[1-(benzenesulfonyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine
CID 57830166
5-[1-(benzenesulfinyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine
CID 58758516
1H-Pyrrolo[2,3-b]pyridine, 1-(phenylsulfonyl)-5-(phenylthio)-3-[1-(triphenylmethyl)-1H-pyrazol-4-yl]-
CID 59128656
Trimethyl-[2-[[5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 59128680
1-Benzenesulfonyl-5-benzyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59128684
1-(Benzenesulfonyl)-5-butylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 59128687
1-(Benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-phenylsulfanylpyrrolo[2,3-b]pyridine
CID 59186560
1-(Benzenesulfonyl)-5-butylsulfanyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 59186595
1-(Benzenesulfonyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 59238614

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane?
The IUPAC name of 1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane (CID 157182607) is 1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane.
What is the SMILES notation for 1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane?
The canonical SMILES for 1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane is CC(C)[SiH](C(C)C)C(C)C.O=S(=O)(c1ccccc1)n1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(Sc3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(C2=CCN=C2)c2cc(Sc3ccccc3)cnc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane?
The InChIKey is AOSXQCVBYGNTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N4O2S2.C23H17N3O2S2.C9H22Si/c46-49(47,37-24-14-5-15-25-37)44-30-39(38-26-36(28-42-40(38)44)48-35-22-12-4-13-23-35)31-27-43-45(29-31)41(32-16-6-1-7-17-32,33-18-8-2-9-19-33)34-20-10-3-11-21-34;27-30(28,20-9-5-2-6-10-20)26-16-22(17-11-12-24-14-17)21-13-19(15-25-23(21)26)29-18-7-3-1-4-8-18;1-7(2)10(8(3)4)9(5)6/h1-30H;1-11,13-16H,12H2;7-10H,1-6H3.
What are the key properties of 1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane?
1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane has a molecular weight of 1264.75 g/mol, XLogP of 17.46, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-phenylsulfanyl-3-(2H-pyrrol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-phenylsulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane is sourced from PubChem (CID 157182607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).