1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one

C24H19FN4O4 — CID 162351350

IUPAC1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(-n5ccccc5=O)cc4)no3)c2cc1F
InChIInChI=1S/C24H19FN4O4/c1-31-10-11-32-21-14-20-17(12-18(21)25)24(27-26-20)22-13-19(28-33-22)15-5-7-16(8-6-15)29-9-3-2-4-23(29)30/h2-9,12-14H,10-11H2,1H3,(H,26,27)
InChIKeyCNAANRBTYYAUAO-UHFFFAOYSA-N
MW446.44 g/mol
LogP4.20
Rot. Bonds7

About 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one

1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one (PubChem CID 162351350) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one
PubChem CID162351350
Molecular FormulaC24H19FN4O4
Molecular Weight446.44 g/mol
Exact Mass446.14
IUPAC Name1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(-n5ccccc5=O)cc4)no3)c2cc1F
InChIInChI=1S/C24H19FN4O4/c1-31-10-11-32-21-14-20-17(12-18(21)25)24(27-26-20)22-13-19(28-33-22)15-5-7-16(8-6-15)29-9-3-2-4-23(29)30/h2-9,12-14H,10-11H2,1H3,(H,26,27)
InChIKeyCNAANRBTYYAUAO-UHFFFAOYSA-N
XLogP4.20
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one?
The IUPAC name of 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one (CID 162351350) is 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one.
What is the SMILES notation for 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one?
The canonical SMILES for 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(-n5ccccc5=O)cc4)no3)c2cc1F.
What is the InChIKey of 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one?
The InChIKey is CNAANRBTYYAUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4/c1-31-10-11-32-21-14-20-17(12-18(21)25)24(27-26-20)22-13-19(28-33-22)15-5-7-16(8-6-15)29-9-3-2-4-23(29)30/h2-9,12-14H,10-11H2,1H3,(H,26,27).
What are the key properties of 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one?
1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one has a molecular weight of 446.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one is sourced from PubChem (CID 162351350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).