N-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine

C24H16ClFN4 — CID 10158746

IUPACN-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine
SMILESFc1ccc2[nH]nc(Nc3cc(-c4ccccc4)nc(-c4ccccc4Cl)c3)c2c1
InChIInChI=1S/C24H16ClFN4/c25-20-9-5-4-8-18(20)23-14-17(13-22(28-23)15-6-2-1-3-7-15)27-24-19-12-16(26)10-11-21(19)29-30-24/h1-14H,(H2,27,28,29,30)
InChIKeyNILZOZUJHMLDOQ-UHFFFAOYSA-N
MW414.87 g/mol
LogP6.83
Rot. Bonds4

About N-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine

N-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine (PubChem CID 10158746) has the molecular formula C24H16ClFN4 and a molecular weight of 414.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine
PubChem CID10158746
Molecular FormulaC24H16ClFN4
Molecular Weight414.87 g/mol
Exact Mass414.10
IUPAC NameN-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine
SMILESFc1ccc2[nH]nc(Nc3cc(-c4ccccc4)nc(-c4ccccc4Cl)c3)c2c1
InChIInChI=1S/C24H16ClFN4/c25-20-9-5-4-8-18(20)23-14-17(13-22(28-23)15-6-2-1-3-7-15)27-24-19-12-16(26)10-11-21(19)29-30-24/h1-14H,(H2,27,28,29,30)
InChIKeyNILZOZUJHMLDOQ-UHFFFAOYSA-N
XLogP6.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.87
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine (CID 10158746) is N-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine is Fc1ccc2[nH]nc(Nc3cc(-c4ccccc4)nc(-c4ccccc4Cl)c3)c2c1.
What is the InChIKey of N-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine?
The InChIKey is NILZOZUJHMLDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN4/c25-20-9-5-4-8-18(20)23-14-17(13-22(28-23)15-6-2-1-3-7-15)27-24-19-12-16(26)10-11-21(19)29-30-24/h1-14H,(H2,27,28,29,30).
What are the key properties of N-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine?
N-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine has a molecular weight of 414.87 g/mol, XLogP of 6.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]-5-fluoro-1H-indazol-3-amine is sourced from PubChem (CID 10158746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).