[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

C28H30FN5O4 — CID 154679552

IUPAC[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCC6(CC5)CN(C)C6)cc4)no3)c2cc1F
InChIInChI=1S/C28H30FN5O4/c1-33-16-28(17-33)7-9-34(10-8-28)27(35)19-5-3-18(4-6-19)22-14-25(38-32-22)26-20-13-21(29)24(37-12-11-36-2)15-23(20)30-31-26/h3-6,13-15H,7-12,16-17H2,1-2H3,(H,30,31)
InChIKeyKAAJLIADGGNVHI-UHFFFAOYSA-N
MW519.58 g/mol
LogP4.22
Rot. Bonds7

About [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (PubChem CID 154679552) has the molecular formula C28H30FN5O4 and a molecular weight of 519.58 g/mol. Its IUPAC name is [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Name[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
PubChem CID154679552
Molecular FormulaC28H30FN5O4
Molecular Weight519.58 g/mol
Exact Mass519.23
IUPAC Name[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCC6(CC5)CN(C)C6)cc4)no3)c2cc1F
InChIInChI=1S/C28H30FN5O4/c1-33-16-28(17-33)7-9-34(10-8-28)27(35)19-5-3-18(4-6-19)22-14-25(38-32-22)26-20-13-21(29)24(37-12-11-36-2)15-23(20)30-31-26/h3-6,13-15H,7-12,16-17H2,1-2H3,(H,30,31)
InChIKeyKAAJLIADGGNVHI-UHFFFAOYSA-N
XLogP4.22
TPSA96.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.58
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (CID 154679552) is [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCC6(CC5)CN(C)C6)cc4)no3)c2cc1F.
What is the InChIKey of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is KAAJLIADGGNVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O4/c1-33-16-28(17-33)7-9-34(10-8-28)27(35)19-5-3-18(4-6-19)22-14-25(38-32-22)26-20-13-21(29)24(37-12-11-36-2)15-23(20)30-31-26/h3-6,13-15H,7-12,16-17H2,1-2H3,(H,30,31).
What are the key properties of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 519.58 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 154679552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).