[3-[dihydroxy-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2,6-dimethylmorpholin-4-yl]-[4-(5-fluoro-2-pyridinyl)-1,5-dimethylpyrazol-3-yl]methanone

C24H26F4N6O4 — CID 176684376

About [3-[dihydroxy-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2,6-dimethylmorpholin-4-yl]-[4-(5-fluoro-2-pyridinyl)-1,5-dimethylpyrazol-3-yl]methanone

[3-[dihydroxy-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2,6-dimethylmorpholin-4-yl]-[4-(5-fluoro-2-pyridinyl)-1,5-dimethylpyrazol-3-yl]methanone (PubChem CID 176684376) has the molecular formula C24H26F4N6O4 and a molecular weight of 538.50 g/mol. Its IUPAC name is [3-[dihydroxy-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2,6-dimethylmorpholin-4-yl]-[4-(5-fluoro-2-pyridinyl)-1,5-dimethylpyrazol-3-yl]methanone.

Molecular Properties

• Compound Name: [3-[dihydroxy-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2,6-dimethylmorpholin-4-yl]-[4-(5-fluoro-2-pyridinyl)-1,5-dimethylpyrazol-3-yl]methanone
• PubChem CID: 176684376
• Molecular Formula: C24H26F4N6O4
• Molecular Weight: 538.50 g/mol
• Exact Mass: 538.20
• IUPAC Name: [3-[dihydroxy-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2,6-dimethylmorpholin-4-yl]-[4-(5-fluoro-2-pyridinyl)-1,5-dimethylpyrazol-3-yl]methanone
• SMILES: Cc1c(-c2ccc(F)cn2)c(C(=O)N2CC(C)OC(C)C2C(O)(O)Nc2ccc(C(F)(F)F)cn2)nn1C
• InChI: InChI=1S/C24H26F4N6O4/c1-12-11-34(22(35)20-19(13(2)33(4)32-20)17-7-6-16(25)10-29-17)21(14(3)38-12)24(36,37)31-18-8-5-15(9-30-18)23(26,27)28/h5-10,12,14,21,36-37H,11H2,1-4H3,(H,30,31)
• InChIKey: YZCWDZTYVDERPG-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 125.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.50
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[dihydroxy-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2,6-dimethylmorpholin-4-yl]-[4-(5-fluoro-2-pyridinyl)-1,5-dimethylpyrazol-3-yl]methanone?

The IUPAC name of [3-[dihydroxy-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2,6-dimethylmorpholin-4-yl]-[4-(5-fluoro-2-pyridinyl)-1,5-dimethylpyrazol-3-yl]methanone (CID 176684376) is [3-[dihydroxy-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2,6-dimethylmorpholin-4-yl]-[4-(5-fluoro-2-pyridinyl)-1,5-dimethylpyrazol-3-yl]methanone.

What is the SMILES notation for [3-[dihydroxy-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2,6-dimethylmorpholin-4-yl]-[4-(5-fluoro-2-pyridinyl)-1,5-dimethylpyrazol-3-yl]methanone?

The canonical SMILES for [3-[dihydroxy-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2,6-dimethylmorpholin-4-yl]-[4-(5-fluoro-2-pyridinyl)-1,5-dimethylpyrazol-3-yl]methanone is Cc1c(-c2ccc(F)cn2)c(C(=O)N2CC(C)OC(C)C2C(O)(O)Nc2ccc(C(F)(F)F)cn2)nn1C.

What is the InChIKey of [3-[dihydroxy-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2,6-dimethylmorpholin-4-yl]-[4-(5-fluoro-2-pyridinyl)-1,5-dimethylpyrazol-3-yl]methanone?

The InChIKey is YZCWDZTYVDERPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N6O4/c1-12-11-34(22(35)20-19(13(2)33(4)32-20)17-7-6-16(25)10-29-17)21(14(3)38-12)24(36,37)31-18-8-5-15(9-30-18)23(26,27)28/h5-10,12,14,21,36-37H,11H2,1-4H3,(H,30,31).

What are the key properties of [3-[dihydroxy-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2,6-dimethylmorpholin-4-yl]-[4-(5-fluoro-2-pyridinyl)-1,5-dimethylpyrazol-3-yl]methanone?

[3-[dihydroxy-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2,6-dimethylmorpholin-4-yl]-[4-(5-fluoro-2-pyridinyl)-1,5-dimethylpyrazol-3-yl]methanone has a molecular weight of 538.50 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[dihydroxy-[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2,6-dimethylmorpholin-4-yl]-[4-(5-fluoro-2-pyridinyl)-1,5-dimethylpyrazol-3-yl]methanone is sourced from PubChem (CID 176684376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).