N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide

C29H26FN7O2 — CID 89450967

IUPACN-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide
SMILESNN(C(=O)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12)c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C29H26FN7O2/c30-23-4-1-20(2-5-23)26-8-6-24(17-33-26)37(31)29(38)28-25-14-21(3-7-27(25)34-35-28)22-13-19(15-32-16-22)18-36-9-11-39-12-10-36/h1-8,13-17H,9-12,18,31H2,(H,34,35)
InChIKeyPOWFHGSUUSXUPR-UHFFFAOYSA-N
MW523.57 g/mol
LogP4.18
Rot. Bonds6

About N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide

N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide (PubChem CID 89450967) has the molecular formula C29H26FN7O2 and a molecular weight of 523.57 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide
PubChem CID89450967
Molecular FormulaC29H26FN7O2
Molecular Weight523.57 g/mol
Exact Mass523.21
IUPAC NameN-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide
SMILESNN(C(=O)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12)c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C29H26FN7O2/c30-23-4-1-20(2-5-23)26-8-6-24(17-33-26)37(31)29(38)28-25-14-21(3-7-27(25)34-35-28)22-13-19(15-32-16-22)18-36-9-11-39-12-10-36/h1-8,13-17H,9-12,18,31H2,(H,34,35)
InChIKeyPOWFHGSUUSXUPR-UHFFFAOYSA-N
XLogP4.18
TPSA113.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.57
LogP ≤ 54.18
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-(4-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide?
The IUPAC name of N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide (CID 89450967) is N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide?
The canonical SMILES for N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide is NN(C(=O)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12)c1ccc(-c2ccc(F)cc2)nc1.
What is the InChIKey of N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide?
The InChIKey is POWFHGSUUSXUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN7O2/c30-23-4-1-20(2-5-23)26-8-6-24(17-33-26)37(31)29(38)28-25-14-21(3-7-27(25)34-35-28)22-13-19(15-32-16-22)18-36-9-11-39-12-10-36/h1-8,13-17H,9-12,18,31H2,(H,34,35).
What are the key properties of N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide?
N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide has a molecular weight of 523.57 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide is sourced from PubChem (CID 89450967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).