2-fluoro-3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]-1H-pyridin-4-one

C21H18FN5O2 — CID 90400829

IUPAC2-fluoro-3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c(F)c1-c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C21H18FN5O2/c22-21-19(17(28)4-6-24-21)13-1-2-16-15(11-13)20(26-25-16)14-3-5-23-18(12-14)27-7-9-29-10-8-27/h1-6,11-12H,7-10H2,(H,24,28)(H,25,26)
InChIKeyZIJQMXDWZXEKKK-UHFFFAOYSA-N
MW391.41 g/mol
LogP2.96
Rot. Bonds3

About 2-fluoro-3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]-1H-pyridin-4-one

2-fluoro-3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]-1H-pyridin-4-one (PubChem CID 90400829) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-fluoro-3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-fluoro-3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]-1H-pyridin-4-one
PubChem CID90400829
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name2-fluoro-3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c(F)c1-c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C21H18FN5O2/c22-21-19(17(28)4-6-24-21)13-1-2-16-15(11-13)20(26-25-16)14-3-5-23-18(12-14)27-7-9-29-10-8-27/h1-6,11-12H,7-10H2,(H,24,28)(H,25,26)
InChIKeyZIJQMXDWZXEKKK-UHFFFAOYSA-N
XLogP2.96
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]-1H-pyridin-4-one?
The IUPAC name of 2-fluoro-3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]-1H-pyridin-4-one (CID 90400829) is 2-fluoro-3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]-1H-pyridin-4-one.
What is the SMILES notation for 2-fluoro-3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]-1H-pyridin-4-one?
The canonical SMILES for 2-fluoro-3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]-1H-pyridin-4-one is O=c1cc[nH]c(F)c1-c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1.
What is the InChIKey of 2-fluoro-3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]-1H-pyridin-4-one?
The InChIKey is ZIJQMXDWZXEKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c22-21-19(17(28)4-6-24-21)13-1-2-16-15(11-13)20(26-25-16)14-3-5-23-18(12-14)27-7-9-29-10-8-27/h1-6,11-12H,7-10H2,(H,24,28)(H,25,26).
What are the key properties of 2-fluoro-3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]-1H-pyridin-4-one?
2-fluoro-3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]-1H-pyridin-4-one has a molecular weight of 391.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]-1H-pyridin-4-one is sourced from PubChem (CID 90400829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).