N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid

C39H43FN6O7S — CID 129110647

About N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid

N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid (PubChem CID 129110647) has the molecular formula C39H43FN6O7S and a molecular weight of 758.87 g/mol. Its IUPAC name is N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid.

Molecular Properties

• Compound Name: N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid
• PubChem CID: 129110647
• Molecular Formula: C39H43FN6O7S
• Molecular Weight: 758.87 g/mol
• Exact Mass: 758.29
• IUPAC Name: N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid
• SMILES: CS(=O)(=O)O.Cc1ccc(-c2cn(CC3CCOCC3)cc(C(=O)Nc3ccc(-c4cc(-c5cnn(C6CCOCC6)c5)cnc4N)c(F)c3)c2=O)cc1
• InChI: InChI=1S/C38H39FN6O4.CH4O3S/c1-24-2-4-26(5-3-24)33-22-44(20-25-8-12-48-13-9-25)23-34(36(33)46)38(47)43-29-6-7-31(35(39)17-29)32-16-27(18-41-37(32)40)28-19-42-45(21-28)30-10-14-49-15-11-30;1-5(2,3)4/h2-7,16-19,21-23,25,30H,8-15,20H2,1H3,(H2,40,41)(H,43,47);1H3,(H,2,3,4)
• InChIKey: DUSDJCQAEJMFTA-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 180.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	758.87
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid?

The IUPAC name of N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid (CID 129110647) is N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid.

What is the SMILES notation for N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid?

The canonical SMILES for N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid is CS(=O)(=O)O.Cc1ccc(-c2cn(CC3CCOCC3)cc(C(=O)Nc3ccc(-c4cc(-c5cnn(C6CCOCC6)c5)cnc4N)c(F)c3)c2=O)cc1.

What is the InChIKey of N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid?

The InChIKey is DUSDJCQAEJMFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39FN6O4.CH4O3S/c1-24-2-4-26(5-3-24)33-22-44(20-25-8-12-48-13-9-25)23-34(36(33)46)38(47)43-29-6-7-31(35(39)17-29)32-16-27(18-41-37(32)40)28-19-42-45(21-28)30-10-14-49-15-11-30;1-5(2,3)4/h2-7,16-19,21-23,25,30H,8-15,20H2,1H3,(H2,40,41)(H,43,47);1H3,(H,2,3,4).

What are the key properties of N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid?

N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid has a molecular weight of 758.87 g/mol, XLogP of 6.00, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid is sourced from PubChem (CID 129110647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).