N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide

C24H24FN7O — CID 172531932

About N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide

N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide (PubChem CID 172531932) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
• PubChem CID: 172531932
• Molecular Formula: C24H24FN7O
• Molecular Weight: 445.50 g/mol
• Exact Mass: 445.20
• IUPAC Name: N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
• SMILES: Cc1cc(F)cc2ccnc(N(C(=O)c3ccc(-c4cn(C)nn4)cn3)[C@@H]3CCCNC3)c12
• InChI: InChI=1S/C24H24FN7O/c1-15-10-18(25)11-16-7-9-27-23(22(15)16)32(19-4-3-8-26-13-19)24(33)20-6-5-17(12-28-20)21-14-31(2)30-29-21/h5-7,9-12,14,19,26H,3-4,8,13H2,1-2H3/t19-/m1/s1
• InChIKey: LSMAYELCEIPSLM-LJQANCHMSA-N
• XLogP: 3.27
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide?

The IUPAC name of N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide (CID 172531932) is N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide?

The canonical SMILES for N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide is Cc1cc(F)cc2ccnc(N(C(=O)c3ccc(-c4cn(C)nn4)cn3)[C@@H]3CCCNC3)c12.

What is the InChIKey of N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide?

The InChIKey is LSMAYELCEIPSLM-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24FN7O/c1-15-10-18(25)11-16-7-9-27-23(22(15)16)32(19-4-3-8-26-13-19)24(33)20-6-5-17(12-28-20)21-14-31(2)30-29-21/h5-7,9-12,14,19,26H,3-4,8,13H2,1-2H3/t19-/m1/s1.

What are the key properties of N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide?

N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 172531932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).