6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

C29H26F3N5O2 — CID 129225620

About 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 129225620) has the molecular formula C29H26F3N5O2 and a molecular weight of 533.55 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
• PubChem CID: 129225620
• Molecular Formula: C29H26F3N5O2
• Molecular Weight: 533.55 g/mol
• Exact Mass: 533.20
• IUPAC Name: 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
• SMILES: Cn1cc(-c2ccc(C(N)=O)c(C3CCC(=Cc4cccc(Oc5ccc(C(F)(F)F)cn5)c4)CC3)n2)cn1
• InChI: InChI=1S/C29H26F3N5O2/c1-37-17-21(15-35-37)25-11-10-24(28(33)38)27(36-25)20-7-5-18(6-8-20)13-19-3-2-4-23(14-19)39-26-12-9-22(16-34-26)29(30,31)32/h2-4,9-17,20H,5-8H2,1H3,(H2,33,38)/b18-13-
• InChIKey: GMRGXRVDTGGVDG-AQTBWJFISA-N
• XLogP: 6.53
• TPSA: 95.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.55
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?

The IUPAC name of 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (CID 129225620) is 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?

The canonical SMILES for 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is Cn1cc(-c2ccc(C(N)=O)c(C3CCC(=Cc4cccc(Oc5ccc(C(F)(F)F)cn5)c4)CC3)n2)cn1.

What is the InChIKey of 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?

The InChIKey is GMRGXRVDTGGVDG-AQTBWJFISA-N. The full InChI is InChI=1S/C29H26F3N5O2/c1-37-17-21(15-35-37)25-11-10-24(28(33)38)27(36-25)20-7-5-18(6-8-20)13-19-3-2-4-23(14-19)39-26-12-9-22(16-34-26)29(30,31)32/h2-4,9-17,20H,5-8H2,1H3,(H2,33,38)/b18-13-.

What are the key properties of 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?

6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 533.55 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 129225620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).