N-(4-fluoro-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide

C24H16FN5O2 — CID 89451245

IUPACN-(4-fluoro-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnccc1F)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C24H16FN5O2/c25-20-8-9-26-14-22(20)28-24(31)23-19-11-15(6-7-21(19)29-30-23)16-10-18(13-27-12-16)32-17-4-2-1-3-5-17/h1-14H,(H,28,31)(H,29,30)
InChIKeyHJGCNHUCZBYKFQ-UHFFFAOYSA-N
MW425.42 g/mol
LogP5.20
Rot. Bonds5

About N-(4-fluoro-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide

N-(4-fluoro-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89451245) has the molecular formula C24H16FN5O2 and a molecular weight of 425.42 g/mol. Its IUPAC name is N-(4-fluoro-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89451245
Molecular FormulaC24H16FN5O2
Molecular Weight425.42 g/mol
Exact Mass425.13
IUPAC NameN-(4-fluoro-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnccc1F)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C24H16FN5O2/c25-20-8-9-26-14-22(20)28-24(31)23-19-11-15(6-7-21(19)29-30-23)16-10-18(13-27-12-16)32-17-4-2-1-3-5-17/h1-14H,(H,28,31)(H,29,30)
InChIKeyHJGCNHUCZBYKFQ-UHFFFAOYSA-N
XLogP5.20
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.42
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89451245) is N-(4-fluoro-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1cnccc1F)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12.
What is the InChIKey of N-(4-fluoro-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is HJGCNHUCZBYKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5O2/c25-20-8-9-26-14-22(20)28-24(31)23-19-11-15(6-7-21(19)29-30-23)16-10-18(13-27-12-16)32-17-4-2-1-3-5-17/h1-14H,(H,28,31)(H,29,30).
What are the key properties of N-(4-fluoro-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
N-(4-fluoro-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 425.42 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).