5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine

C26H31N5O2S — CID 135348376

IUPAC5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine
SMILESCCCS(=O)(=O)N1CCc2ccc(-c3cc(-c4ccc(N5CCNCC5)cc4)cnc3N)cc21
InChIInChI=1S/C26H31N5O2S/c1-2-15-34(32,33)31-12-9-20-3-4-21(17-25(20)31)24-16-22(18-29-26(24)27)19-5-7-23(8-6-19)30-13-10-28-11-14-30/h3-8,16-18,28H,2,9-15H2,1H3,(H2,27,29)
InChIKeyZDVICHJOIZQDIK-UHFFFAOYSA-N
MW477.63 g/mol
LogP3.51
Rot. Bonds6

About 5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine

5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine (PubChem CID 135348376) has the molecular formula C26H31N5O2S and a molecular weight of 477.63 g/mol. Its IUPAC name is 5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine
PubChem CID135348376
Molecular FormulaC26H31N5O2S
Molecular Weight477.63 g/mol
Exact Mass477.22
IUPAC Name5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine
SMILESCCCS(=O)(=O)N1CCc2ccc(-c3cc(-c4ccc(N5CCNCC5)cc4)cnc3N)cc21
InChIInChI=1S/C26H31N5O2S/c1-2-15-34(32,33)31-12-9-20-3-4-21(17-25(20)31)24-16-22(18-29-26(24)27)19-5-7-23(8-6-19)30-13-10-28-11-14-30/h3-8,16-18,28H,2,9-15H2,1H3,(H2,27,29)
InChIKeyZDVICHJOIZQDIK-UHFFFAOYSA-N
XLogP3.51
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine 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 5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine?
The IUPAC name of 5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine (CID 135348376) is 5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine.
What is the SMILES notation for 5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine?
The canonical SMILES for 5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine is CCCS(=O)(=O)N1CCc2ccc(-c3cc(-c4ccc(N5CCNCC5)cc4)cnc3N)cc21.
What is the InChIKey of 5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine?
The InChIKey is ZDVICHJOIZQDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2S/c1-2-15-34(32,33)31-12-9-20-3-4-21(17-25(20)31)24-16-22(18-29-26(24)27)19-5-7-23(8-6-19)30-13-10-28-11-14-30/h3-8,16-18,28H,2,9-15H2,1H3,(H2,27,29).
What are the key properties of 5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine?
5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine has a molecular weight of 477.63 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine is sourced from PubChem (CID 135348376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).