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

C29H19FN6O2 — CID 122630515

IUPACN-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2cncc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C29H19FN6O2/c30-21-10-20(14-31-15-21)26-9-7-22(16-33-26)34-29(37)28-25-12-18(6-8-27(25)35-36-28)19-11-24(17-32-13-19)38-23-4-2-1-3-5-23/h1-17H,(H,34,37)(H,35,36)
InChIKeyHHHPYSQUEPROHA-UHFFFAOYSA-N
MW502.51 g/mol
LogP6.27
Rot. Bonds6

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

N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 122630515) has the molecular formula C29H19FN6O2 and a molecular weight of 502.51 g/mol. Its IUPAC name is N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID122630515
Molecular FormulaC29H19FN6O2
Molecular Weight502.51 g/mol
Exact Mass502.16
IUPAC NameN-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2cncc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C29H19FN6O2/c30-21-10-20(14-31-15-21)26-9-7-22(16-33-26)34-29(37)28-25-12-18(6-8-27(25)35-36-28)19-11-24(17-32-13-19)38-23-4-2-1-3-5-23/h1-17H,(H,34,37)(H,35,36)
InChIKeyHHHPYSQUEPROHA-UHFFFAOYSA-N
XLogP6.27
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.51
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 122630515) is N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(-c2cncc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12.
What is the InChIKey of N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is HHHPYSQUEPROHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19FN6O2/c30-21-10-20(14-31-15-21)26-9-7-22(16-33-26)34-29(37)28-25-12-18(6-8-27(25)35-36-28)19-11-24(17-32-13-19)38-23-4-2-1-3-5-23/h1-17H,(H,34,37)(H,35,36).
What are the key properties of N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 502.51 g/mol, XLogP of 6.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 122630515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).