1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide

C32H35F2N7O4 — CID 59596932

About 1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide

1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 59596932) has the molecular formula C32H35F2N7O4 and a molecular weight of 619.67 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
• PubChem CID: 59596932
• Molecular Formula: C32H35F2N7O4
• Molecular Weight: 619.67 g/mol
• Exact Mass: 619.27
• IUPAC Name: 1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
• SMILES: O=C(Nc1cc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)c(F)c2)ccn1)N1CCC(N2CCNCC2)CC1
• InChI: InChI=1S/C32H35F2N7O4/c33-21-1-3-22(4-2-21)37-29(42)32(10-11-32)30(43)38-27-6-5-24(19-26(27)34)45-25-7-12-36-28(20-25)39-31(44)41-15-8-23(9-16-41)40-17-13-35-14-18-40/h1-7,12,19-20,23,35H,8-11,13-18H2,(H,37,42)(H,38,43)(H,36,39,44)
• InChIKey: GBZZFPGITUWCGN-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 127.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.67
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

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'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide (CID 59596932) is 1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide is O=C(Nc1cc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)c(F)c2)ccn1)N1CCC(N2CCNCC2)CC1.

What is the InChIKey of 1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

The InChIKey is GBZZFPGITUWCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N7O4/c33-21-1-3-22(4-2-21)37-29(42)32(10-11-32)30(43)38-27-6-5-24(19-26(27)34)45-25-7-12-36-28(20-25)39-31(44)41-15-8-23(9-16-41)40-17-13-35-14-18-40/h1-7,12,19-20,23,35H,8-11,13-18H2,(H,37,42)(H,38,43)(H,36,39,44).

What are the key properties of 1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide?

1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 619.67 g/mol, XLogP of 4.41, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 59596932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).