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

C23H20N2O4S — CID 1004085

IUPAC[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(OC)c(OC)c4)sc3n2)cc1
InChIInChI=1S/C23H20N2O4S/c1-27-15-7-4-13(5-8-15)17-10-9-16-20(24)22(30-23(16)25-17)21(26)14-6-11-18(28-2)19(12-14)29-3/h4-12H,24H2,1-3H3
InChIKeyOEFWIJZKAIUFBL-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.80
Rot. Bonds6

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

[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone (PubChem CID 1004085) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone
PubChem CID1004085
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(OC)c(OC)c4)sc3n2)cc1
InChIInChI=1S/C23H20N2O4S/c1-27-15-7-4-13(5-8-15)17-10-9-16-20(24)22(30-23(16)25-17)21(26)14-6-11-18(28-2)19(12-14)29-3/h4-12H,24H2,1-3H3
InChIKeyOEFWIJZKAIUFBL-UHFFFAOYSA-N
XLogP4.80
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone (CID 1004085) is [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone is COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(OC)c(OC)c4)sc3n2)cc1.
What is the InChIKey of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone?
The InChIKey is OEFWIJZKAIUFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-27-15-7-4-13(5-8-15)17-10-9-16-20(24)22(30-23(16)25-17)21(26)14-6-11-18(28-2)19(12-14)29-3/h4-12H,24H2,1-3H3.
What are the key properties of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone?
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone has a molecular weight of 420.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 1004085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).