5-[3-amino-4-(oxan-4-ylmethylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one

C25H26ClN5O2 — CID 129052165

About 5-[3-amino-4-(oxan-4-ylmethylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one

5-[3-amino-4-(oxan-4-ylmethylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one (PubChem CID 129052165) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 5-[3-amino-4-(oxan-4-ylmethylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one.

Molecular Properties

• Compound Name: 5-[3-amino-4-(oxan-4-ylmethylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one
• PubChem CID: 129052165
• Molecular Formula: C25H26ClN5O2
• Molecular Weight: 463.97 g/mol
• Exact Mass: 463.18
• IUPAC Name: 5-[3-amino-4-(oxan-4-ylmethylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one
• SMILES: Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(Cl)c4)c3)cc(NCC3CCOCC3)c12
• InChI: InChI=1S/C25H26ClN5O2/c26-20-3-1-2-17(10-20)14-31-15-18(4-5-23(31)32)19-11-21(24-22(12-19)29-30-25(24)27)28-13-16-6-8-33-9-7-16/h1-5,10-12,15-16,28H,6-9,13-14H2,(H3,27,29,30)
• InChIKey: ZFLMJVWYYRFNEP-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 97.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.97
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-4-(oxan-4-ylmethylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one?

The IUPAC name of 5-[3-amino-4-(oxan-4-ylmethylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one (CID 129052165) is 5-[3-amino-4-(oxan-4-ylmethylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one.

What is the SMILES notation for 5-[3-amino-4-(oxan-4-ylmethylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one?

The canonical SMILES for 5-[3-amino-4-(oxan-4-ylmethylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one is Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(Cl)c4)c3)cc(NCC3CCOCC3)c12.

What is the InChIKey of 5-[3-amino-4-(oxan-4-ylmethylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one?

The InChIKey is ZFLMJVWYYRFNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c26-20-3-1-2-17(10-20)14-31-15-18(4-5-23(31)32)19-11-21(24-22(12-19)29-30-25(24)27)28-13-16-6-8-33-9-7-16/h1-5,10-12,15-16,28H,6-9,13-14H2,(H3,27,29,30).

What are the key properties of 5-[3-amino-4-(oxan-4-ylmethylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one?

5-[3-amino-4-(oxan-4-ylmethylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one has a molecular weight of 463.97 g/mol, XLogP of 4.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-amino-4-(oxan-4-ylmethylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 129052165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).