(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone

C15H19N3O2S — CID 102970996

IUPAC(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2sc3nccc(C)c3c2N)C1
InChIInChI=1S/C15H19N3O2S/c1-9-5-6-17-14-11(9)12(16)13(21-14)15(19)18-7-3-4-10(8-18)20-2/h5-6,10H,3-4,7-8,16H2,1-2H3
InChIKeyFRGDIKKEFSMXBE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.44
Rot. Bonds2

About (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone

(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone (PubChem CID 102970996) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone
PubChem CID102970996
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2sc3nccc(C)c3c2N)C1
InChIInChI=1S/C15H19N3O2S/c1-9-5-6-17-14-11(9)12(16)13(21-14)15(19)18-7-3-4-10(8-18)20-2/h5-6,10H,3-4,7-8,16H2,1-2H3
InChIKeyFRGDIKKEFSMXBE-UHFFFAOYSA-N
XLogP2.44
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114683837
(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-methoxypiperidin-1-yl)methanone
CID 107932607
(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 171133137
1-(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)ethanone
CID 82395893
(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 102969309
(5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone
CID 80519131
(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone
CID 80518435
(2-amino-1,3-thiazol-4-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102957562
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone
CID 102971716
(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 103878889
(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103865425
(2-chlorofuran-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 106687373

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone (CID 102970996) is (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone is COC1CCCN(C(=O)c2sc3nccc(C)c3c2N)C1.
What is the InChIKey of (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is FRGDIKKEFSMXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-5-6-17-14-11(9)12(16)13(21-14)15(19)18-7-3-4-10(8-18)20-2/h5-6,10H,3-4,7-8,16H2,1-2H3.
What are the key properties of (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone?
(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 305.40 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 102970996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).