3-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C26H35N5O2S — CID 90645290

IUPAC3-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCCNC(=O)c2sc3nc(C)cc(C)c3c2N)CC1
InChIInChI=1S/C26H35N5O2S/c1-18-17-19(2)29-26-22(18)23(27)24(34-26)25(32)28-11-7-4-8-12-30-13-15-31(16-14-30)20-9-5-6-10-21(20)33-3/h5-6,9-10,17H,4,7-8,11-16,27H2,1-3H3,(H,28,32)
InChIKeyKUBIIYUHICAQBT-UHFFFAOYSA-N
MW481.67 g/mol
LogP4.23
Rot. Bonds9

About 3-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 90645290) has the molecular formula C26H35N5O2S and a molecular weight of 481.67 g/mol. Its IUPAC name is 3-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID90645290
Molecular FormulaC26H35N5O2S
Molecular Weight481.67 g/mol
Exact Mass481.25
IUPAC Name3-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCCNC(=O)c2sc3nc(C)cc(C)c3c2N)CC1
InChIInChI=1S/C26H35N5O2S/c1-18-17-19(2)29-26-22(18)23(27)24(34-26)25(32)28-11-7-4-8-12-30-13-15-31(16-14-30)20-9-5-6-10-21(20)33-3/h5-6,9-10,17H,4,7-8,11-16,27H2,1-3H3,(H,28,32)
InChIKeyKUBIIYUHICAQBT-UHFFFAOYSA-N
XLogP4.23
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.67
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide 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-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 90645290) is 3-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is COc1ccccc1N1CCN(CCCCCNC(=O)c2sc3nc(C)cc(C)c3c2N)CC1.
What is the InChIKey of 3-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KUBIIYUHICAQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2S/c1-18-17-19(2)29-26-22(18)23(27)24(34-26)25(32)28-11-7-4-8-12-30-13-15-31(16-14-30)20-9-5-6-10-21(20)33-3/h5-6,9-10,17H,4,7-8,11-16,27H2,1-3H3,(H,28,32).
What are the key properties of 3-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 481.67 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 90645290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).