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

C21H17N3O3S — CID 42648191

IUPAC(3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1OC
InChIInChI=1S/C21H17N3O3S/c1-26-16-6-3-13(11-17(16)27-2)19(25)20-18(22)14-4-5-15(24-21(14)28-20)12-7-9-23-10-8-12/h3-11H,22H2,1-2H3
InChIKeyNHSFHZHLZNSYLD-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.19
Rot. Bonds5

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

(3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone (PubChem CID 42648191) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone
PubChem CID42648191
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name(3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1OC
InChIInChI=1S/C21H17N3O3S/c1-26-16-6-3-13(11-17(16)27-2)19(25)20-18(22)14-4-5-15(24-21(14)28-20)12-7-9-23-10-8-12/h3-11H,22H2,1-2H3
InChIKeyNHSFHZHLZNSYLD-UHFFFAOYSA-N
XLogP4.19
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone (CID 42648191) is (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1OC.
What is the InChIKey of (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone?
The InChIKey is NHSFHZHLZNSYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-26-16-6-3-13(11-17(16)27-2)19(25)20-18(22)14-4-5-15(24-21(14)28-20)12-7-9-23-10-8-12/h3-11H,22H2,1-2H3.
What are the key properties of (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone?
(3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone has a molecular weight of 391.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 42648191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).