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

C24H16FN5O2 — CID 89444854

IUPACN-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C24H16FN5O2/c25-17-4-1-5-19(12-17)32-22-9-7-18(14-27-22)28-24(31)23-20-11-15(6-8-21(20)29-30-23)16-3-2-10-26-13-16/h1-14H,(H,28,31)(H,29,30)
InChIKeyVICMYWPFQHGVHQ-UHFFFAOYSA-N
MW425.42 g/mol
LogP5.20
Rot. Bonds5

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

N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 89444854) has the molecular formula C24H16FN5O2 and a molecular weight of 425.42 g/mol. Its IUPAC name is N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID89444854
Molecular FormulaC24H16FN5O2
Molecular Weight425.42 g/mol
Exact Mass425.13
IUPAC NameN-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C24H16FN5O2/c25-17-4-1-5-19(12-17)32-22-9-7-18(14-27-22)28-24(31)23-20-11-15(6-8-21(20)29-30-23)16-3-2-10-26-13-16/h1-14H,(H,28,31)(H,29,30)
InChIKeyVICMYWPFQHGVHQ-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-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (CID 89444854) is N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cccnc3)cc12.
What is the InChIKey of N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is VICMYWPFQHGVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5O2/c25-17-4-1-5-19(12-17)32-22-9-7-18(14-27-22)28-24(31)23-20-11-15(6-8-21(20)29-30-23)16-3-2-10-26-13-16/h1-14H,(H,28,31)(H,29,30).
What are the key properties of N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-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-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 89444854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).