5-(5-amino-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide

C24H17FN6O2 — CID 89450534

IUPAC5-(5-amino-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESNc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(Oc5cccc(F)c5)nc4)c3c2)c1
InChIInChI=1S/C24H17FN6O2/c25-16-2-1-3-19(10-16)33-22-7-5-18(13-28-22)29-24(32)23-20-9-14(4-6-21(20)30-31-23)15-8-17(26)12-27-11-15/h1-13H,26H2,(H,29,32)(H,30,31)
InChIKeyHAFRDMNQVNEAHR-UHFFFAOYSA-N
MW440.44 g/mol
LogP4.79
Rot. Bonds5

About 5-(5-amino-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide

5-(5-amino-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450534) has the molecular formula C24H17FN6O2 and a molecular weight of 440.44 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-amino-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89450534
Molecular FormulaC24H17FN6O2
Molecular Weight440.44 g/mol
Exact Mass440.14
IUPAC Name5-(5-amino-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESNc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(Oc5cccc(F)c5)nc4)c3c2)c1
InChIInChI=1S/C24H17FN6O2/c25-16-2-1-3-19(10-16)33-22-7-5-18(13-28-22)29-24(32)23-20-9-14(4-6-21(20)30-31-23)15-8-17(26)12-27-11-15/h1-13H,26H2,(H,29,32)(H,30,31)
InChIKeyHAFRDMNQVNEAHR-UHFFFAOYSA-N
XLogP4.79
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.44
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-amino-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450534) is 5-(5-amino-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-amino-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-amino-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide is Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(Oc5cccc(F)c5)nc4)c3c2)c1.
What is the InChIKey of 5-(5-amino-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is HAFRDMNQVNEAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6O2/c25-16-2-1-3-19(10-16)33-22-7-5-18(13-28-22)29-24(32)23-20-9-14(4-6-21(20)30-31-23)15-8-17(26)12-27-11-15/h1-13H,26H2,(H,29,32)(H,30,31).
What are the key properties of 5-(5-amino-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-(5-amino-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 440.44 g/mol, XLogP of 4.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).