(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone

C18H17N3OS — CID 3726387

IUPAC(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCC2)sc2nc(-c3ccccc3)ccc12
InChIInChI=1S/C18H17N3OS/c19-15-13-8-9-14(12-6-2-1-3-7-12)20-17(13)23-16(15)18(22)21-10-4-5-11-21/h1-3,6-9H,4-5,10-11,19H2
InChIKeyXQAZIKOCAFFEIY-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.78
Rot. Bonds2

About (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone

(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 3726387) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID3726387
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCC2)sc2nc(-c3ccccc3)ccc12
InChIInChI=1S/C18H17N3OS/c19-15-13-8-9-14(12-6-2-1-3-7-12)20-17(13)23-16(15)18(22)21-10-4-5-11-21/h1-3,6-9H,4-5,10-11,19H2
InChIKeyXQAZIKOCAFFEIY-UHFFFAOYSA-N
XLogP3.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone (CID 3726387) is (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone is Nc1c(C(=O)N2CCCC2)sc2nc(-c3ccccc3)ccc12.
What is the InChIKey of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is XQAZIKOCAFFEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c19-15-13-8-9-14(12-6-2-1-3-7-12)20-17(13)23-16(15)18(22)21-10-4-5-11-21/h1-3,6-9H,4-5,10-11,19H2.
What are the key properties of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone?
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 323.42 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3726387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).