(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)-(5-fluoro-2-piperidin-1-ylphenyl)methanone

C21H22FN3OS — CID 58707365

IUPAC(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)-(5-fluoro-2-piperidin-1-ylphenyl)methanone
SMILESCc1cc2c(N)c(C(=O)c3cc(F)ccc3N3CCCCC3)sc2nc1C
InChIInChI=1S/C21H22FN3OS/c1-12-10-16-18(23)20(27-21(16)24-13(12)2)19(26)15-11-14(22)6-7-17(15)25-8-4-3-5-9-25/h6-7,10-11H,3-5,8-9,23H2,1-2H3
InChIKeyPYOBMACLUNNIBK-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.86
Rot. Bonds3

About (3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)-(5-fluoro-2-piperidin-1-ylphenyl)methanone

(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)-(5-fluoro-2-piperidin-1-ylphenyl)methanone (PubChem CID 58707365) has the molecular formula C21H22FN3OS and a molecular weight of 383.49 g/mol. Its IUPAC name is (3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)-(5-fluoro-2-piperidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)-(5-fluoro-2-piperidin-1-ylphenyl)methanone
PubChem CID58707365
Molecular FormulaC21H22FN3OS
Molecular Weight383.49 g/mol
Exact Mass383.15
IUPAC Name(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)-(5-fluoro-2-piperidin-1-ylphenyl)methanone
SMILESCc1cc2c(N)c(C(=O)c3cc(F)ccc3N3CCCCC3)sc2nc1C
InChIInChI=1S/C21H22FN3OS/c1-12-10-16-18(23)20(27-21(16)24-13(12)2)19(26)15-11-14(22)6-7-17(15)25-8-4-3-5-9-25/h6-7,10-11H,3-5,8-9,23H2,1-2H3
InChIKeyPYOBMACLUNNIBK-UHFFFAOYSA-N
XLogP4.86
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)-(5-fluoro-2-piperidin-1-ylphenyl)methanone?
The IUPAC name of (3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)-(5-fluoro-2-piperidin-1-ylphenyl)methanone (CID 58707365) is (3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)-(5-fluoro-2-piperidin-1-ylphenyl)methanone.
What is the SMILES notation for (3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)-(5-fluoro-2-piperidin-1-ylphenyl)methanone?
The canonical SMILES for (3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)-(5-fluoro-2-piperidin-1-ylphenyl)methanone is Cc1cc2c(N)c(C(=O)c3cc(F)ccc3N3CCCCC3)sc2nc1C.
What is the InChIKey of (3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)-(5-fluoro-2-piperidin-1-ylphenyl)methanone?
The InChIKey is PYOBMACLUNNIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3OS/c1-12-10-16-18(23)20(27-21(16)24-13(12)2)19(26)15-11-14(22)6-7-17(15)25-8-4-3-5-9-25/h6-7,10-11H,3-5,8-9,23H2,1-2H3.
What are the key properties of (3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)-(5-fluoro-2-piperidin-1-ylphenyl)methanone?
(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)-(5-fluoro-2-piperidin-1-ylphenyl)methanone has a molecular weight of 383.49 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)-(5-fluoro-2-piperidin-1-ylphenyl)methanone is sourced from PubChem (CID 58707365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).