N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide

C26H26FN5O2 — CID 172533107

About N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide

N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 172533107) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide
• PubChem CID: 172533107
• Molecular Formula: C26H26FN5O2
• Molecular Weight: 459.53 g/mol
• Exact Mass: 459.21
• IUPAC Name: N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide
• SMILES: Cc1cc(C)c2c(N(C(=O)c3ccc(-c4nnc(C)o4)cc3F)[C@@H]3CCCNC3)nccc2c1
• InChI: InChI=1S/C26H26FN5O2/c1-15-11-16(2)23-18(12-15)8-10-29-24(23)32(20-5-4-9-28-14-20)26(33)21-7-6-19(13-22(21)27)25-31-30-17(3)34-25/h6-8,10-13,20,28H,4-5,9,14H2,1-3H3/t20-/m1/s1
• InChIKey: LGEICMBCKBEQBA-HXUWFJFHSA-N
• XLogP: 4.75
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.53
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide?

The IUPAC name of N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide (CID 172533107) is N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide.

What is the SMILES notation for N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide?

The canonical SMILES for N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide is Cc1cc(C)c2c(N(C(=O)c3ccc(-c4nnc(C)o4)cc3F)[C@@H]3CCCNC3)nccc2c1.

What is the InChIKey of N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide?

The InChIKey is LGEICMBCKBEQBA-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-15-11-16(2)23-18(12-15)8-10-29-24(23)32(20-5-4-9-28-14-20)26(33)21-7-6-19(13-22(21)27)25-31-30-17(3)34-25/h6-8,10-13,20,28H,4-5,9,14H2,1-3H3/t20-/m1/s1.

What are the key properties of N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide?

N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 459.53 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 172533107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).