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

C22H18N2O3S — CID 1004092

IUPAC[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)c4cccc(OC)c4)sc3n2)cc1
InChIInChI=1S/C22H18N2O3S/c1-26-15-8-6-13(7-9-15)18-11-10-17-19(23)21(28-22(17)24-18)20(25)14-4-3-5-16(12-14)27-2/h3-12H,23H2,1-2H3
InChIKeyIBIGIRDXZXAEOR-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.79
Rot. Bonds5

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

[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone (PubChem CID 1004092) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone
PubChem CID1004092
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)c4cccc(OC)c4)sc3n2)cc1
InChIInChI=1S/C22H18N2O3S/c1-26-15-8-6-13(7-9-15)18-11-10-17-19(23)21(28-22(17)24-18)20(25)14-4-3-5-16(12-14)27-2/h3-12H,23H2,1-2H3
InChIKeyIBIGIRDXZXAEOR-UHFFFAOYSA-N
XLogP4.79
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-methoxyphenyl)methanone?
The IUPAC name of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone (CID 1004092) is [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone is COc1ccc(-c2ccc3c(N)c(C(=O)c4cccc(OC)c4)sc3n2)cc1.
What is the InChIKey of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone?
The InChIKey is IBIGIRDXZXAEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-26-15-8-6-13(7-9-15)18-11-10-17-19(23)21(28-22(17)24-18)20(25)14-4-3-5-16(12-14)27-2/h3-12H,23H2,1-2H3.
What are the key properties of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone?
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone has a molecular weight of 390.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-methoxyphenyl)methanone is sourced from PubChem (CID 1004092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).