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

C22H18N2O3S — CID 1036385

IUPAC(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1OC
InChIInChI=1S/C22H18N2O3S/c1-26-17-11-8-14(12-18(17)27-2)20(25)21-19(23)15-9-10-16(24-22(15)28-21)13-6-4-3-5-7-13/h3-12H,23H2,1-2H3
InChIKeyPIHZRVPXWYQXIE-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.79
Rot. Bonds5

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

(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone (PubChem CID 1036385) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone
PubChem CID1036385
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1OC
InChIInChI=1S/C22H18N2O3S/c1-26-17-11-8-14(12-18(17)27-2)20(25)21-19(23)15-9-10-16(24-22(15)28-21)13-6-4-3-5-7-13/h3-12H,23H2,1-2H3
InChIKeyPIHZRVPXWYQXIE-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-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone (CID 1036385) is (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1OC.
What is the InChIKey of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone?
The InChIKey is PIHZRVPXWYQXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-26-17-11-8-14(12-18(17)27-2)20(25)21-19(23)15-9-10-16(24-22(15)28-21)13-6-4-3-5-7-13/h3-12H,23H2,1-2H3.
What are the key properties of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone?
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)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-phenylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 1036385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).