1-N'-(4-fluorophenyl)-1-N'-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide

C27H24FN5O3 — CID 67413452

About 1-N'-(4-fluorophenyl)-1-N'-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide

1-N'-(4-fluorophenyl)-1-N'-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 67413452) has the molecular formula C27H24FN5O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is 1-N'-(4-fluorophenyl)-1-N'-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-(4-fluorophenyl)-1-N'-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
• PubChem CID: 67413452
• Molecular Formula: C27H24FN5O3
• Molecular Weight: 485.52 g/mol
• Exact Mass: 485.19
• IUPAC Name: 1-N'-(4-fluorophenyl)-1-N'-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
• SMILES: Cc1cc(N(C(=O)C2(C(N)=O)CC2)c2ccc(F)cc2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
• InChI: InChI=1S/C27H24FN5O3/c1-17-13-21(33(20-5-3-19(28)4-6-20)26(35)27(10-11-27)25(29)34)7-8-24(17)36-22-9-12-30-23(14-22)18-15-31-32(2)16-18/h3-9,12-16H,10-11H2,1-2H3,(H2,29,34)
• InChIKey: NUIGGOVSWRZHON-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 103.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.52
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-fluorophenyl)-1-N'-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N'-(4-fluorophenyl)-1-N'-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide (CID 67413452) is 1-N'-(4-fluorophenyl)-1-N'-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N'-(4-fluorophenyl)-1-N'-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N'-(4-fluorophenyl)-1-N'-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide is Cc1cc(N(C(=O)C2(C(N)=O)CC2)c2ccc(F)cc2)ccc1Oc1ccnc(-c2cnn(C)c2)c1.

What is the InChIKey of 1-N'-(4-fluorophenyl)-1-N'-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

The InChIKey is NUIGGOVSWRZHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3/c1-17-13-21(33(20-5-3-19(28)4-6-20)26(35)27(10-11-27)25(29)34)7-8-24(17)36-22-9-12-30-23(14-22)18-15-31-32(2)16-18/h3-9,12-16H,10-11H2,1-2H3,(H2,29,34).

What are the key properties of 1-N'-(4-fluorophenyl)-1-N'-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

1-N'-(4-fluorophenyl)-1-N'-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 485.52 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-(4-fluorophenyl)-1-N'-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 67413452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).