(5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone

C27H28N4O2 — CID 127251575

About (5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone

(5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 127251575) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is (5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: (5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone
• PubChem CID: 127251575
• Molecular Formula: C27H28N4O2
• Molecular Weight: 440.55 g/mol
• Exact Mass: 440.22
• IUPAC Name: (5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone
• SMILES: Cc1ccc(Cc2cc(C)nc(C3CN(C(=O)c4n[nH]c5ccc(C)cc45)CCO3)c2)cc1
• InChI: InChI=1S/C27H28N4O2/c1-17-4-7-20(8-5-17)14-21-13-19(3)28-24(15-21)25-16-31(10-11-33-25)27(32)26-22-12-18(2)6-9-23(22)29-30-26/h4-9,12-13,15,25H,10-11,14,16H2,1-3H3,(H,29,30)
• InChIKey: IGQFECBKSGFEMK-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.55
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone?

The IUPAC name of (5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone (CID 127251575) is (5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone.

What is the SMILES notation for (5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone?

The canonical SMILES for (5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone is Cc1ccc(Cc2cc(C)nc(C3CN(C(=O)c4n[nH]c5ccc(C)cc45)CCO3)c2)cc1.

What is the InChIKey of (5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone?

The InChIKey is IGQFECBKSGFEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-17-4-7-20(8-5-17)14-21-13-19(3)28-24(15-21)25-16-31(10-11-33-25)27(32)26-22-12-18(2)6-9-23(22)29-30-26/h4-9,12-13,15,25H,10-11,14,16H2,1-3H3,(H,29,30).

What are the key properties of (5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone?

(5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 440.55 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 127251575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).