N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carbohydrazide

C30H21FN6O3 — CID 89450616

IUPACN-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carbohydrazide
SMILESNN(C(=O)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12)c1ccc(Oc2ccccc2F)nc1
InChIInChI=1S/C30H21FN6O3/c31-25-8-4-5-9-27(25)40-28-13-11-21(17-34-28)37(32)30(38)29-24-15-19(10-12-26(24)35-36-29)20-14-23(18-33-16-20)39-22-6-2-1-3-7-22/h1-18H,32H2,(H,35,36)
InChIKeyUWOCIMYKLBYRCV-UHFFFAOYSA-N
MW532.54 g/mol
LogP6.26
Rot. Bonds7

About N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carbohydrazide

N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carbohydrazide (PubChem CID 89450616) has the molecular formula C30H21FN6O3 and a molecular weight of 532.54 g/mol. Its IUPAC name is N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carbohydrazide.

Molecular Properties

Compound NameN-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carbohydrazide
PubChem CID89450616
Molecular FormulaC30H21FN6O3
Molecular Weight532.54 g/mol
Exact Mass532.17
IUPAC NameN-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carbohydrazide
SMILESNN(C(=O)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12)c1ccc(Oc2ccccc2F)nc1
InChIInChI=1S/C30H21FN6O3/c31-25-8-4-5-9-27(25)40-28-13-11-21(17-34-28)37(32)30(38)29-24-15-19(10-12-26(24)35-36-29)20-14-23(18-33-16-20)39-22-6-2-1-3-7-22/h1-18H,32H2,(H,35,36)
InChIKeyUWOCIMYKLBYRCV-UHFFFAOYSA-N
XLogP6.26
TPSA119.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.54
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carbohydrazide?
The IUPAC name of N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carbohydrazide (CID 89450616) is N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carbohydrazide.
What is the SMILES notation for N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carbohydrazide?
The canonical SMILES for N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carbohydrazide is NN(C(=O)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12)c1ccc(Oc2ccccc2F)nc1.
What is the InChIKey of N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carbohydrazide?
The InChIKey is UWOCIMYKLBYRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21FN6O3/c31-25-8-4-5-9-27(25)40-28-13-11-21(17-34-28)37(32)30(38)29-24-15-19(10-12-26(24)35-36-29)20-14-23(18-33-16-20)39-22-6-2-1-3-7-22/h1-18H,32H2,(H,35,36).
What are the key properties of N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carbohydrazide?
N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carbohydrazide has a molecular weight of 532.54 g/mol, XLogP of 6.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carbohydrazide is sourced from PubChem (CID 89450616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).