1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone

C24H22N2O4S — CID 159486708

IUPAC1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1cccc(-c2ccc3c(N)c(C(=O)Cc4ccc(OC)c(OC)c4)sc3n2)c1
InChIInChI=1S/C24H22N2O4S/c1-28-16-6-4-5-15(13-16)18-9-8-17-22(25)23(31-24(17)26-18)19(27)11-14-7-10-20(29-2)21(12-14)30-3/h4-10,12-13H,11,25H2,1-3H3
InChIKeyLXRDVZKDFFZSMQ-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.00
Rot. Bonds7

About 1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone

1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone (PubChem CID 159486708) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone
PubChem CID159486708
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1cccc(-c2ccc3c(N)c(C(=O)Cc4ccc(OC)c(OC)c4)sc3n2)c1
InChIInChI=1S/C24H22N2O4S/c1-28-16-6-4-5-15(13-16)18-9-8-17-22(25)23(31-24(17)26-18)19(27)11-14-7-10-20(29-2)21(12-14)30-3/h4-10,12-13H,11,25H2,1-3H3
InChIKeyLXRDVZKDFFZSMQ-UHFFFAOYSA-N
XLogP5.00
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1003890
3-amino-N-[2-(4-fluorophenyl)ethyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1003840
3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1239621
3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 118940972
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003782
3-amino-6-(3-methoxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]pyridine-2-carboxamide
CID 87047876
3-amino-6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 2011209
2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine
CID 123147189
6-[(3,4-dimethoxyphenyl)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 53338183
4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 176550125
3-amino-6-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004083
2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 82118916

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone (CID 159486708) is 1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone is COc1cccc(-c2ccc3c(N)c(C(=O)Cc4ccc(OC)c(OC)c4)sc3n2)c1.
What is the InChIKey of 1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is LXRDVZKDFFZSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-28-16-6-4-5-15(13-16)18-9-8-17-22(25)23(31-24(17)26-18)19(27)11-14-7-10-20(29-2)21(12-14)30-3/h4-10,12-13H,11,25H2,1-3H3.
What are the key properties of 1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone?
1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 434.52 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 159486708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).