methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate

C27H26N2O7S — CID 118716252

IUPACmethyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C27H26N2O7S/c1-13-20(27(31)36-6)21(14-7-10-17(33-3)19(11-14)35-5)22-23(28)25(37-26(22)29-13)24(30)16-9-8-15(32-2)12-18(16)34-4/h7-12H,28H2,1-6H3
InChIKeyWXHVWZJBCLDMMU-UHFFFAOYSA-N
MW522.58 g/mol
LogP4.91
Rot. Bonds8

About methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate

methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate (PubChem CID 118716252) has the molecular formula C27H26N2O7S and a molecular weight of 522.58 g/mol. Its IUPAC name is methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
PubChem CID118716252
Molecular FormulaC27H26N2O7S
Molecular Weight522.58 g/mol
Exact Mass522.15
IUPAC Namemethyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C27H26N2O7S/c1-13-20(27(31)36-6)21(14-7-10-17(33-3)19(11-14)35-5)22-23(28)25(37-26(22)29-13)24(30)16-9-8-15(32-2)12-18(16)34-4/h7-12H,28H2,1-6H3
InChIKeyWXHVWZJBCLDMMU-UHFFFAOYSA-N
XLogP4.91
TPSA119.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.58
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate with MolForge

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Related Compounds

ethyl 3-amino-2-(2,4-dimethoxybenzoyl)-6-methyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carboxylate
CID 90469291
methyl 3-amino-2-(4-methoxybenzoyl)-6-methyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carboxylate
CID 90469290
ethyl 2-acetyl-3-amino-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 118716257
1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone
CID 14268896
dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232490
(2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone
CID 82133581
3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide
CID 2101794
3-acetamido-2-(4-methoxybenzoyl)-6-methyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carboxylic acid
CID 121333472
[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone
CID 1005220
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
CID 3434675
ethyl 3-amino-2-(4-chlorobenzoyl)-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 11443302

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate (CID 118716252) is methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate is COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate?
The InChIKey is WXHVWZJBCLDMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O7S/c1-13-20(27(31)36-6)21(14-7-10-17(33-3)19(11-14)35-5)22-23(28)25(37-26(22)29-13)24(30)16-9-8-15(32-2)12-18(16)34-4/h7-12H,28H2,1-6H3.
What are the key properties of methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate?
methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate has a molecular weight of 522.58 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 118716252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).