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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nvs-cecr2-1
CID 117072550
Avitriptan
CID 133081
Urmc-099
CID 54764565
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
1-[4-Methyl-1-(Methylsulfonyl)piperidin-4-Yl]-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973424
N-(3-{[(5-Cyano-2-Phenyl-1h-Pyrrolo[2,3-B]pyridin-4-Yl)amino]methyl}pyridin-2-Yl)-N-Methylmethanesulfonamide
CID 71277531
6-(2-{3-(Aminomethyl)-5-[2-(1h-Pyrrolo[2,3-B]pyridin-6-Yl)ethyl]phenyl}ethyl)-4-Methylpyridin-2-Amine
CID 86346622
N-(2-methyl-4-(2-(pyrrolidin-1-yl)ethyl)phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 16046217
N-(2-methyl-4-(2-(piperidin-1-yl)ethyl)phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 44416038
N-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide
CID 57095243
2-[(3S)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylacetonitrile
CID 58177456

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).