3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile

C20H20ClN5O2S — CID 137367726

IUPAC3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cncc(N)c1Cl)cn2C1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C20H20ClN5O2S/c1-12-5-19-15(6-13(12)7-22)17(16-8-24-9-18(23)20(16)21)11-26(19)14-3-4-25(10-14)29(2,27)28/h5-6,8-9,11,14H,3-4,10,23H2,1-2H3
InChIKeyOSWFCLLKRJCBJA-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.33
Rot. Bonds3

About 3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile

3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile (PubChem CID 137367726) has the molecular formula C20H20ClN5O2S and a molecular weight of 429.93 g/mol. Its IUPAC name is 3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile.

Molecular Properties

Compound Name3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile
PubChem CID137367726
Molecular FormulaC20H20ClN5O2S
Molecular Weight429.93 g/mol
Exact Mass429.10
IUPAC Name3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cncc(N)c1Cl)cn2C1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C20H20ClN5O2S/c1-12-5-19-15(6-13(12)7-22)17(16-8-24-9-18(23)20(16)21)11-26(19)14-3-4-25(10-14)29(2,27)28/h5-6,8-9,11,14H,3-4,10,23H2,1-2H3
InChIKeyOSWFCLLKRJCBJA-UHFFFAOYSA-N
XLogP3.33
TPSA105.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile?
The IUPAC name of 3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile (CID 137367726) is 3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile.
What is the SMILES notation for 3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile?
The canonical SMILES for 3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile is Cc1cc2c(cc1C#N)c(-c1cncc(N)c1Cl)cn2C1CCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile?
The InChIKey is OSWFCLLKRJCBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2S/c1-12-5-19-15(6-13(12)7-22)17(16-8-24-9-18(23)20(16)21)11-26(19)14-3-4-25(10-14)29(2,27)28/h5-6,8-9,11,14H,3-4,10,23H2,1-2H3.
What are the key properties of 3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile?
3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile has a molecular weight of 429.93 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-chloro-3-pyridinyl)-6-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)indole-5-carbonitrile is sourced from PubChem (CID 137367726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).