1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine

C26H25N3O3S — CID 91482964

IUPAC1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine
SMILESCCCOc1ccc2c(c1)c(-c1cc3cccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C
InChIInChI=1S/C26H25N3O3S/c1-4-14-32-20-9-12-24-22(16-20)23(17-28(24)3)25-15-19-6-5-13-27-26(19)29(25)33(30,31)21-10-7-18(2)8-11-21/h5-13,15-17H,4,14H2,1-3H3
InChIKeyDZCBOWBZBSSWDZ-UHFFFAOYSA-N
MW459.57 g/mol
LogP5.53
Rot. Bonds6

About 1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine

1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine (PubChem CID 91482964) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine
PubChem CID91482964
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC Name1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine
SMILESCCCOc1ccc2c(c1)c(-c1cc3cccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C
InChIInChI=1S/C26H25N3O3S/c1-4-14-32-20-9-12-24-22(16-20)23(17-28(24)3)25-15-19-6-5-13-27-26(19)29(25)33(30,31)21-10-7-18(2)8-11-21/h5-13,15-17H,4,14H2,1-3H3
InChIKeyDZCBOWBZBSSWDZ-UHFFFAOYSA-N
XLogP5.53
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indol-5-yl]propanoate
CID 150348349
N'-hydroxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carboximidamide
CID 87290528
2-[6-[2-(2-chloroethoxy)ethoxy]-5-methoxy-1-methylindol-3-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 67147647
4-[2-[1-methyl-3-[3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]indol-5-yl]oxyethyl]morpholine
CID 58382296
2-[4-[3-[5,6-dimethoxy-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indol-1-yl]propyl]piperazin-1-yl]ethanol;2,2,2-trifluoroacetic acid
CID 67147737
2-(5-methoxy-6-phenylmethoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 22477397
2-[5-methoxy-1-(2-methoxy-2-oxoethyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indol-6-yl]oxybutanedioic acid
CID 67147664
N'-hydroxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-2-carboximidamide
CID 91222500
4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 90868510
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine
CID 67147532
3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol
CID 22477387
N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide
CID 53486942

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine (CID 91482964) is 1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine is CCCOc1ccc2c(c1)c(-c1cc3cccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is DZCBOWBZBSSWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-4-14-32-20-9-12-24-22(16-20)23(17-28(24)3)25-15-19-6-5-13-27-26(19)29(25)33(30,31)21-10-7-18(2)8-11-21/h5-13,15-17H,4,14H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine?
1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 459.57 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 91482964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).