4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine

C24H29N5O2S — CID 127046819

IUPAC4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine
SMILESCC(C)CS(=O)(=O)n1ccc2c(-c3ccc4[nH]ccc4c3)cc(N3CCN(C)CC3)nc21
InChIInChI=1S/C24H29N5O2S/c1-17(2)16-32(30,31)29-9-7-20-21(18-4-5-22-19(14-18)6-8-25-22)15-23(26-24(20)29)28-12-10-27(3)11-13-28/h4-9,14-15,17,25H,10-13,16H2,1-3H3
InChIKeyPRQQYPXIMIPIPH-UHFFFAOYSA-N
MW451.60 g/mol
LogP3.77
Rot. Bonds5

About 4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine

4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine (PubChem CID 127046819) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is 4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine
PubChem CID127046819
Molecular FormulaC24H29N5O2S
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC Name4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine
SMILESCC(C)CS(=O)(=O)n1ccc2c(-c3ccc4[nH]ccc4c3)cc(N3CCN(C)CC3)nc21
InChIInChI=1S/C24H29N5O2S/c1-17(2)16-32(30,31)29-9-7-20-21(18-4-5-22-19(14-18)6-8-25-22)15-23(26-24(20)29)28-12-10-27(3)11-13-28/h4-9,14-15,17,25H,10-13,16H2,1-3H3
InChIKeyPRQQYPXIMIPIPH-UHFFFAOYSA-N
XLogP3.77
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine (CID 127046819) is 4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine is CC(C)CS(=O)(=O)n1ccc2c(-c3ccc4[nH]ccc4c3)cc(N3CCN(C)CC3)nc21.
What is the InChIKey of 4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine?
The InChIKey is PRQQYPXIMIPIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-17(2)16-32(30,31)29-9-7-20-21(18-4-5-22-19(14-18)6-8-25-22)15-23(26-24(20)29)28-12-10-27(3)11-13-28/h4-9,14-15,17,25H,10-13,16H2,1-3H3.
What are the key properties of 4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine?
4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine has a molecular weight of 451.60 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 127046819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).