[3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone

C32H30N4O3S — CID 23943389

IUPAC[3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc(OC)c(-c2cc(-c3ccccc3)nc3sc(C(=O)N4CCN(c5ccccc5)CC4)c(N)c23)c1
InChIInChI=1S/C32H30N4O3S/c1-38-23-13-14-27(39-2)24(19-23)25-20-26(21-9-5-3-6-10-21)34-31-28(25)29(33)30(40-31)32(37)36-17-15-35(16-18-36)22-11-7-4-8-12-22/h3-14,19-20H,15-18,33H2,1-2H3
InChIKeyBHOVANCUALQBQW-UHFFFAOYSA-N
MW550.68 g/mol
LogP6.19
Rot. Bonds6

About [3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone

[3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 23943389) has the molecular formula C32H30N4O3S and a molecular weight of 550.68 g/mol. Its IUPAC name is [3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID23943389
Molecular FormulaC32H30N4O3S
Molecular Weight550.68 g/mol
Exact Mass550.20
IUPAC Name[3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc(OC)c(-c2cc(-c3ccccc3)nc3sc(C(=O)N4CCN(c5ccccc5)CC4)c(N)c23)c1
InChIInChI=1S/C32H30N4O3S/c1-38-23-13-14-27(39-2)24(19-23)25-20-26(21-9-5-3-6-10-21)34-31-28(25)29(33)30(40-31)32(37)36-17-15-35(16-18-36)22-11-7-4-8-12-22/h3-14,19-20H,15-18,33H2,1-2H3
InChIKeyBHOVANCUALQBQW-UHFFFAOYSA-N
XLogP6.19
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.68
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone 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-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 23744115
[3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 23744119
[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1147313
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23971348
(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 23915429
4-[3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carbonyl]-3-methyl-2H-oxadiazol-3-ium-5-one
CID 53296726
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 121084114
3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3165794
[4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 52906138
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23859628

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 23943389) is [3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone is COc1ccc(OC)c(-c2cc(-c3ccccc3)nc3sc(C(=O)N4CCN(c5ccccc5)CC4)c(N)c23)c1.
What is the InChIKey of [3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is BHOVANCUALQBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O3S/c1-38-23-13-14-27(39-2)24(19-23)25-20-26(21-9-5-3-6-10-21)34-31-28(25)29(33)30(40-31)32(37)36-17-15-35(16-18-36)22-11-7-4-8-12-22/h3-14,19-20H,15-18,33H2,1-2H3.
What are the key properties of [3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
[3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 550.68 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 23943389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).