5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide

C28H23FN6O2 — CID 89450496

IUPAC5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12
InChIInChI=1S/C28H23FN6O2/c29-21-3-6-23(7-4-21)37-26-9-5-22(16-31-26)32-28(36)27-24-13-19(2-8-25(24)33-34-27)20-12-18(14-30-15-20)17-35-10-1-11-35/h2-9,12-16H,1,10-11,17H2,(H,32,36)(H,33,34)
InChIKeyRMJWQDLQEVVPHG-UHFFFAOYSA-N
MW494.53 g/mol
LogP5.41
Rot. Bonds7

About 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450496) has the molecular formula C28H23FN6O2 and a molecular weight of 494.53 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89450496
Molecular FormulaC28H23FN6O2
Molecular Weight494.53 g/mol
Exact Mass494.19
IUPAC Name5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12
InChIInChI=1S/C28H23FN6O2/c29-21-3-6-23(7-4-21)37-26-9-5-22(16-31-26)32-28(36)27-24-13-19(2-8-25(24)33-34-27)20-12-18(14-30-15-20)17-35-10-1-11-35/h2-9,12-16H,1,10-11,17H2,(H,32,36)(H,33,34)
InChIKeyRMJWQDLQEVVPHG-UHFFFAOYSA-N
XLogP5.41
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.53
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450496) is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.
What is the InChIKey of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is RMJWQDLQEVVPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6O2/c29-21-3-6-23(7-4-21)37-26-9-5-22(16-31-26)32-28(36)27-24-13-19(2-8-25(24)33-34-27)20-12-18(14-30-15-20)17-35-10-1-11-35/h2-9,12-16H,1,10-11,17H2,(H,32,36)(H,33,34).
What are the key properties of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 494.53 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).