1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole

C22H26N4OS — CID 143017753

IUPAC1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole
SMILESCn1nc(-c2cc3ccc(OCCCN4CCCCC4)cc3[nH]2)c2sccc21
InChIInChI=1S/C22H26N4OS/c1-25-20-8-13-28-22(20)21(24-25)19-14-16-6-7-17(15-18(16)23-19)27-12-5-11-26-9-3-2-4-10-26/h6-8,13-15,23H,2-5,9-12H2,1H3
InChIKeyGJGSXYQOMMHPEQ-UHFFFAOYSA-N
MW394.54 g/mol
LogP5.04
Rot. Bonds6

About 1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole

1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole (PubChem CID 143017753) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole.

Molecular Properties

Compound Name1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole
PubChem CID143017753
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole
SMILESCn1nc(-c2cc3ccc(OCCCN4CCCCC4)cc3[nH]2)c2sccc21
InChIInChI=1S/C22H26N4OS/c1-25-20-8-13-28-22(20)21(24-25)19-14-16-6-7-17(15-18(16)23-19)27-12-5-11-26-9-3-2-4-10-26/h6-8,13-15,23H,2-5,9-12H2,1H3
InChIKeyGJGSXYQOMMHPEQ-UHFFFAOYSA-N
XLogP5.04
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole
CID 135431618
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole
CID 135489256
7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
CID 175845391
1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol
CID 135489184
7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364
3,6-bis(4-piperidin-1-ylbutoxy)acridine
CID 20553482
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 69089727
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole?
The IUPAC name of 1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole (CID 143017753) is 1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole.
What is the SMILES notation for 1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole?
The canonical SMILES for 1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole is Cn1nc(-c2cc3ccc(OCCCN4CCCCC4)cc3[nH]2)c2sccc21.
What is the InChIKey of 1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole?
The InChIKey is GJGSXYQOMMHPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-25-20-8-13-28-22(20)21(24-25)19-14-16-6-7-17(15-18(16)23-19)27-12-5-11-26-9-3-2-4-10-26/h6-8,13-15,23H,2-5,9-12H2,1H3.
What are the key properties of 1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole?
1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole has a molecular weight of 394.54 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole is sourced from PubChem (CID 143017753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).