3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide

C26H35N5OS2 — CID 143205423

IUPAC3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide
SMILESCN1CCN(CCCSN2CCC(c3c[nH]c4c(C(N)=O)cc(-c5cccs5)cc34)CC2)CC1
InChIInChI=1S/C26H35N5OS2/c1-29-10-12-30(13-11-29)7-3-15-34-31-8-5-19(6-9-31)23-18-28-25-21(23)16-20(17-22(25)26(27)32)24-4-2-14-33-24/h2,4,14,16-19,28H,3,5-13,15H2,1H3,(H2,27,32)
InChIKeyKONZGYDLVNRLJK-UHFFFAOYSA-N
MW497.73 g/mol
LogP4.46
Rot. Bonds8

About 3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide

3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide (PubChem CID 143205423) has the molecular formula C26H35N5OS2 and a molecular weight of 497.73 g/mol. Its IUPAC name is 3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide
PubChem CID143205423
Molecular FormulaC26H35N5OS2
Molecular Weight497.73 g/mol
Exact Mass497.23
IUPAC Name3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide
SMILESCN1CCN(CCCSN2CCC(c3c[nH]c4c(C(N)=O)cc(-c5cccs5)cc34)CC2)CC1
InChIInChI=1S/C26H35N5OS2/c1-29-10-12-30(13-11-29)7-3-15-34-31-8-5-19(6-9-31)23-18-28-25-21(23)16-20(17-22(25)26(27)32)24-4-2-14-33-24/h2,4,14,16-19,28H,3,5-13,15H2,1H3,(H2,27,32)
InChIKeyKONZGYDLVNRLJK-UHFFFAOYSA-N
XLogP4.46
TPSA68.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.73
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide 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

3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 66746965
2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate
CID 69475648
3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 59003292
3-(1,1-dihydroxy-2,2-dimethylthian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 66746140
5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 143079406
3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide
CID 59003332
5-[3-(hydroxymethyl)phenyl]-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
CID 11613367
3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide
CID 66747184
5-[3-[[[(2S)-2-hydroxypropyl]amino]methyl]phenyl]-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
CID 11512621
3-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 11258625
3-(1,1-dihydroxythian-4-yl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-indole-7-carboxamide
CID 66746921
3-piperidin-4-yl-5-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-indole-7-carboxamide
CID 71221166

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide?
The IUPAC name of 3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide (CID 143205423) is 3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide is CN1CCN(CCCSN2CCC(c3c[nH]c4c(C(N)=O)cc(-c5cccs5)cc34)CC2)CC1.
What is the InChIKey of 3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide?
The InChIKey is KONZGYDLVNRLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5OS2/c1-29-10-12-30(13-11-29)7-3-15-34-31-8-5-19(6-9-31)23-18-28-25-21(23)16-20(17-22(25)26(27)32)24-4-2-14-33-24/h2,4,14,16-19,28H,3,5-13,15H2,1H3,(H2,27,32).
What are the key properties of 3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide?
3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide has a molecular weight of 497.73 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 143205423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).