2-[1-[6-methyl-2-[(2Z)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperidin-4-yl]ethanol

C25H28F3N7O — CID 149338581

About 2-[1-[6-methyl-2-[(2Z)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperidin-4-yl]ethanol

2-[1-[6-methyl-2-[(2Z)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperidin-4-yl]ethanol (PubChem CID 149338581) has the molecular formula C25H28F3N7O and a molecular weight of 499.54 g/mol. Its IUPAC name is 2-[1-[6-methyl-2-[(2Z)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperidin-4-yl]ethanol.

Molecular Properties

• Compound Name: 2-[1-[6-methyl-2-[(2Z)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperidin-4-yl]ethanol
• PubChem CID: 149338581
• Molecular Formula: C25H28F3N7O
• Molecular Weight: 499.54 g/mol
• Exact Mass: 499.23
• IUPAC Name: 2-[1-[6-methyl-2-[(2Z)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperidin-4-yl]ethanol
• SMILES: Cc1cc(N2CCC(CCO)CC2)nc(N/N=C\c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)n1
• InChI: InChI=1S/C25H28F3N7O/c1-17-13-23(35-10-7-18(8-11-35)9-12-36)33-24(31-17)34-30-16-21-5-6-22(15-29-21)32-20-4-2-3-19(14-20)25(26,27)28/h2-6,13-16,18,32,36H,7-12H2,1H3,(H,31,33,34)/b30-16-
• InChIKey: YDSMYGVGGWBNNH-UHBFCERESA-N
• XLogP: 4.99
• TPSA: 98.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.54
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-methyl-2-[(2Z)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperidin-4-yl]ethanol?

The IUPAC name of 2-[1-[6-methyl-2-[(2Z)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperidin-4-yl]ethanol (CID 149338581) is 2-[1-[6-methyl-2-[(2Z)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperidin-4-yl]ethanol.

What is the SMILES notation for 2-[1-[6-methyl-2-[(2Z)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperidin-4-yl]ethanol?

The canonical SMILES for 2-[1-[6-methyl-2-[(2Z)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperidin-4-yl]ethanol is Cc1cc(N2CCC(CCO)CC2)nc(N/N=C\c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)n1.

What is the InChIKey of 2-[1-[6-methyl-2-[(2Z)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperidin-4-yl]ethanol?

The InChIKey is YDSMYGVGGWBNNH-UHBFCERESA-N. The full InChI is InChI=1S/C25H28F3N7O/c1-17-13-23(35-10-7-18(8-11-35)9-12-36)33-24(31-17)34-30-16-21-5-6-22(15-29-21)32-20-4-2-3-19(14-20)25(26,27)28/h2-6,13-16,18,32,36H,7-12H2,1H3,(H,31,33,34)/b30-16-.

What are the key properties of 2-[1-[6-methyl-2-[(2Z)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperidin-4-yl]ethanol?

2-[1-[6-methyl-2-[(2Z)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperidin-4-yl]ethanol has a molecular weight of 499.54 g/mol, XLogP of 4.99, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[6-methyl-2-[(2Z)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 149338581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).