2-amino-6-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile

About 2-amino-6-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile

2-amino-6-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile (PubChem CID 171489082) has the molecular formula C24H24F2N6OS and a molecular weight of 482.56 g/mol. Its IUPAC name is 2-amino-6-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name	2-amino-6-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile
PubChem CID	171489082
Molecular Formula	C24H24F2N6OS
Molecular Weight	482.56 g/mol
Exact Mass	482.17
IUPAC Name	2-amino-6-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile
SMILES	CN1C2=C(SC1c1ccc(N3CCCC(F)C3)nc1F)C(=O)N(c1cccc(N)c1C#N)CC2
InChI	InChI=1S/C24H24F2N6OS/c1-30-19-9-11-32(18-6-2-5-17(28)16(18)12-27)23(33)21(19)34-24(30)15-7-8-20(29-22(15)26)31-10-3-4-14(25)13-31/h2,5-8,14,24H,3-4,9-11,13,28H2,1H3
InChIKey	UQDNRJZEJXUCJU-UHFFFAOYSA-N
XLogP	3.94
TPSA	89.49 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	3
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.56
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile?

The IUPAC name of 2-amino-6-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile (CID 171489082) is 2-amino-6-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile.

What is the SMILES notation for 2-amino-6-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile?

The canonical SMILES for 2-amino-6-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile is CN1C2=C(SC1c1ccc(N3CCCC(F)C3)nc1F)C(=O)N(c1cccc(N)c1C#N)CC2.

What is the InChIKey of 2-amino-6-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile?

The InChIKey is UQDNRJZEJXUCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6OS/c1-30-19-9-11-32(18-6-2-5-17(28)16(18)12-27)23(33)21(19)34-24(30)15-7-8-20(29-22(15)26)31-10-3-4-14(25)13-31/h2,5-8,14,24H,3-4,9-11,13,28H2,1H3.

What are the key properties of 2-amino-6-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile?

2-amino-6-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile has a molecular weight of 482.56 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-[2-[2-fluoro-6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 171489082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).