1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C24H20FN5O2 — CID 118726120

IUPAC1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESNc1n[nH]c2cccc(-c3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c12
InChIInChI=1S/C24H20FN5O2/c25-15-6-10-17(11-7-15)28-23(32)24(12-13-24)22(31)27-16-8-4-14(5-9-16)18-2-1-3-19-20(18)21(26)30-29-19/h1-11H,12-13H2,(H,27,31)(H,28,32)(H3,26,29,30)
InChIKeyFESYGHLMIOLVMD-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.31
Rot. Bonds5

About 1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 118726120) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID118726120
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESNc1n[nH]c2cccc(-c3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c12
InChIInChI=1S/C24H20FN5O2/c25-15-6-10-17(11-7-15)28-23(32)24(12-13-24)22(31)27-16-8-4-14(5-9-16)18-2-1-3-19-20(18)21(26)30-29-19/h1-11H,12-13H2,(H,27,31)(H,28,32)(H3,26,29,30)
InChIKeyFESYGHLMIOLVMD-UHFFFAOYSA-N
XLogP4.31
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 118726120) is 1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c12.
What is the InChIKey of 1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is FESYGHLMIOLVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c25-15-6-10-17(11-7-15)28-23(32)24(12-13-24)22(31)27-16-8-4-14(5-9-16)18-2-1-3-19-20(18)21(26)30-29-19/h1-11H,12-13H2,(H,27,31)(H,28,32)(H3,26,29,30).
What are the key properties of 1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 429.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 118726120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).