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

C30H20FN5O3 — CID 89451231

IUPACN-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C30H20FN5O3/c31-25-8-4-5-9-27(25)39-28-13-11-21(17-33-28)34-30(37)29-24-15-19(10-12-26(24)35-36-29)20-14-23(18-32-16-20)38-22-6-2-1-3-7-22/h1-18H,(H,34,37)(H,35,36)
InChIKeyLKSNKPJQDUYBEL-UHFFFAOYSA-N
MW517.52 g/mol
LogP7.00
Rot. Bonds7

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

N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89451231) has the molecular formula C30H20FN5O3 and a molecular weight of 517.52 g/mol. Its IUPAC name is N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89451231
Molecular FormulaC30H20FN5O3
Molecular Weight517.52 g/mol
Exact Mass517.16
IUPAC NameN-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C30H20FN5O3/c31-25-8-4-5-9-27(25)39-28-13-11-21(17-33-28)34-30(37)29-24-15-19(10-12-26(24)35-36-29)20-14-23(18-32-16-20)38-22-6-2-1-3-7-22/h1-18H,(H,34,37)(H,35,36)
InChIKeyLKSNKPJQDUYBEL-UHFFFAOYSA-N
XLogP7.00
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.52
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-carboxamide?
The IUPAC name of N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89451231) is N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12.
What is the InChIKey of N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is LKSNKPJQDUYBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20FN5O3/c31-25-8-4-5-9-27(25)39-28-13-11-21(17-33-28)34-30(37)29-24-15-19(10-12-26(24)35-36-29)20-14-23(18-32-16-20)38-22-6-2-1-3-7-22/h1-18H,(H,34,37)(H,35,36).
What are the key properties of N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 517.52 g/mol, XLogP of 7.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 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-carboxamide is sourced from PubChem (CID 89451231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).