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

C22H18N2O2S — CID 1004090

IUPAC[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(C)cc4)sc3n2)cc1
InChIInChI=1S/C22H18N2O2S/c1-13-3-5-15(6-4-13)20(25)21-19(23)17-11-12-18(24-22(17)27-21)14-7-9-16(26-2)10-8-14/h3-12H,23H2,1-2H3
InChIKeyXWQFPAKCLYNZEH-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.09
Rot. Bonds4

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

[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone (PubChem CID 1004090) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone
PubChem CID1004090
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(C)cc4)sc3n2)cc1
InChIInChI=1S/C22H18N2O2S/c1-13-3-5-15(6-4-13)20(25)21-19(23)17-11-12-18(24-22(17)27-21)14-7-9-16(26-2)10-8-14/h3-12H,23H2,1-2H3
InChIKeyXWQFPAKCLYNZEH-UHFFFAOYSA-N
XLogP5.09
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]-(4-methylphenyl)methanone?
The IUPAC name of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone (CID 1004090) is [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone is COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(C)cc4)sc3n2)cc1.
What is the InChIKey of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone?
The InChIKey is XWQFPAKCLYNZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-13-3-5-15(6-4-13)20(25)21-19(23)17-11-12-18(24-22(17)27-21)14-7-9-16(26-2)10-8-14/h3-12H,23H2,1-2H3.
What are the key properties of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone?
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone has a molecular weight of 374.47 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 1004090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).