4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine

C25H27FN6O4 — CID 154679788

IUPAC4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CC(N6CCOCC6)C5)nc4)no3)c2cc1F
InChIInChI=1S/C25H27FN6O4/c1-33-8-9-35-22-12-21-18(10-19(22)26)25(29-28-21)23-11-20(30-36-23)16-2-3-24(27-13-16)32-14-17(15-32)31-4-6-34-7-5-31/h2-3,10-13,17H,4-9,14-15H2,1H3,(H,28,29)
InChIKeyNCOBCBMTYVXDEH-UHFFFAOYSA-N
MW494.53 g/mol
LogP2.96
Rot. Bonds8

About 4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine

4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine (PubChem CID 154679788) has the molecular formula C25H27FN6O4 and a molecular weight of 494.53 g/mol. Its IUPAC name is 4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine
PubChem CID154679788
Molecular FormulaC25H27FN6O4
Molecular Weight494.53 g/mol
Exact Mass494.21
IUPAC Name4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CC(N6CCOCC6)C5)nc4)no3)c2cc1F
InChIInChI=1S/C25H27FN6O4/c1-33-8-9-35-22-12-21-18(10-19(22)26)25(29-28-21)23-11-20(30-36-23)16-2-3-24(27-13-16)32-14-17(15-32)31-4-6-34-7-5-31/h2-3,10-13,17H,4-9,14-15H2,1H3,(H,28,29)
InChIKeyNCOBCBMTYVXDEH-UHFFFAOYSA-N
XLogP2.96
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine?
The IUPAC name of 4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine (CID 154679788) is 4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CC(N6CCOCC6)C5)nc4)no3)c2cc1F.
What is the InChIKey of 4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine?
The InChIKey is NCOBCBMTYVXDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O4/c1-33-8-9-35-22-12-21-18(10-19(22)26)25(29-28-21)23-11-20(30-36-23)16-2-3-24(27-13-16)32-14-17(15-32)31-4-6-34-7-5-31/h2-3,10-13,17H,4-9,14-15H2,1H3,(H,28,29).
What are the key properties of 4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine?
4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine has a molecular weight of 494.53 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine is sourced from PubChem (CID 154679788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).