5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole

C22H22FN5O3 — CID 155067276

IUPAC5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCCC5)nc4)no3)c2cc1F
InChIInChI=1S/C22H22FN5O3/c1-29-8-9-30-19-12-18-15(10-16(19)23)22(26-25-18)20-11-17(27-31-20)14-4-5-21(24-13-14)28-6-2-3-7-28/h4-5,10-13H,2-3,6-9H2,1H3,(H,25,26)
InChIKeyOCYKGXDWWIPDLD-UHFFFAOYSA-N
MW423.45 g/mol
LogP4.04
Rot. Bonds7

About 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole

5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole (PubChem CID 155067276) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole
PubChem CID155067276
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC Name5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCCC5)nc4)no3)c2cc1F
InChIInChI=1S/C22H22FN5O3/c1-29-8-9-30-19-12-18-15(10-16(19)23)22(26-25-18)20-11-17(27-31-20)14-4-5-21(24-13-14)28-6-2-3-7-28/h4-5,10-13H,2-3,6-9H2,1H3,(H,25,26)
InChIKeyOCYKGXDWWIPDLD-UHFFFAOYSA-N
XLogP4.04
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 54.04
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 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole?
The IUPAC name of 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole (CID 155067276) is 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole?
The canonical SMILES for 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCCC5)nc4)no3)c2cc1F.
What is the InChIKey of 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole?
The InChIKey is OCYKGXDWWIPDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c1-29-8-9-30-19-12-18-15(10-16(19)23)22(26-25-18)20-11-17(27-31-20)14-4-5-21(24-13-14)28-6-2-3-7-28/h4-5,10-13H,2-3,6-9H2,1H3,(H,25,26).
What are the key properties of 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole?
5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole has a molecular weight of 423.45 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 155067276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).