(3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(1,3-benzodioxol-5-yl)methanone

C20H13N3O3S — CID 23877662

IUPAC(3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(1,3-benzodioxol-5-yl)methanone
SMILESNc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc(-c3ccncc3)ccc12
InChIInChI=1S/C20H13N3O3S/c21-17-13-2-3-14(11-5-7-22-8-6-11)23-20(13)27-19(17)18(24)12-1-4-15-16(9-12)26-10-25-15/h1-9H,10,21H2
InChIKeyOVMVKUQEDMZKHZ-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.90
Rot. Bonds3

About (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(1,3-benzodioxol-5-yl)methanone

(3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(1,3-benzodioxol-5-yl)methanone (PubChem CID 23877662) has the molecular formula C20H13N3O3S and a molecular weight of 375.41 g/mol. Its IUPAC name is (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(1,3-benzodioxol-5-yl)methanone.

Molecular Properties

Compound Name(3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(1,3-benzodioxol-5-yl)methanone
PubChem CID23877662
Molecular FormulaC20H13N3O3S
Molecular Weight375.41 g/mol
Exact Mass375.07
IUPAC Name(3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(1,3-benzodioxol-5-yl)methanone
SMILESNc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc(-c3ccncc3)ccc12
InChIInChI=1S/C20H13N3O3S/c21-17-13-2-3-14(11-5-7-22-8-6-11)23-20(13)27-19(17)18(24)12-1-4-15-16(9-12)26-10-25-15/h1-9H,10,21H2
InChIKeyOVMVKUQEDMZKHZ-UHFFFAOYSA-N
XLogP3.90
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.90
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)-(1,3-benzodioxol-5-yl)methanone?
The IUPAC name of (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(1,3-benzodioxol-5-yl)methanone (CID 23877662) is (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(1,3-benzodioxol-5-yl)methanone.
What is the SMILES notation for (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(1,3-benzodioxol-5-yl)methanone?
The canonical SMILES for (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(1,3-benzodioxol-5-yl)methanone is Nc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc(-c3ccncc3)ccc12.
What is the InChIKey of (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(1,3-benzodioxol-5-yl)methanone?
The InChIKey is OVMVKUQEDMZKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O3S/c21-17-13-2-3-14(11-5-7-22-8-6-11)23-20(13)27-19(17)18(24)12-1-4-15-16(9-12)26-10-25-15/h1-9H,10,21H2.
What are the key properties of (3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(1,3-benzodioxol-5-yl)methanone?
(3-amino-6-pyridin-4-ylthieno[2,3-b]pyridin-2-yl)-(1,3-benzodioxol-5-yl)methanone has a molecular weight of 375.41 g/mol, XLogP of 3.90, 3 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)-(1,3-benzodioxol-5-yl)methanone is sourced from PubChem (CID 23877662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).