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

C22H22FN5O4 — CID 154679547

IUPAC4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCOCC5)nc4)no3)c2cc1F
InChIInChI=1S/C22H22FN5O4/c1-29-8-9-31-19-12-18-15(10-16(19)23)22(26-25-18)20-11-17(27-32-20)14-2-3-21(24-13-14)28-4-6-30-7-5-28/h2-3,10-13H,4-9H2,1H3,(H,25,26)
InChIKeyOTPXKODIYRCNSB-UHFFFAOYSA-N
MW439.45 g/mol
LogP3.28
Rot. Bonds7

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

4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 154679547) has the molecular formula C22H22FN5O4 and a molecular weight of 439.45 g/mol. Its IUPAC name is 4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine
PubChem CID154679547
Molecular FormulaC22H22FN5O4
Molecular Weight439.45 g/mol
Exact Mass439.17
IUPAC Name4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCOCC5)nc4)no3)c2cc1F
InChIInChI=1S/C22H22FN5O4/c1-29-8-9-31-19-12-18-15(10-16(19)23)22(26-25-18)20-11-17(27-32-20)14-2-3-21(24-13-14)28-4-6-30-7-5-28/h2-3,10-13H,4-9H2,1H3,(H,25,26)
InChIKeyOTPXKODIYRCNSB-UHFFFAOYSA-N
XLogP3.28
TPSA98.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholine
CID 155067309
[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 154679620
3-[4-[(3aS,6aS)-1-methyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole
CID 154679523
5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-[4-(oxetan-3-yl)-1,4-diazepan-1-yl]phenyl]-1,2-oxazole
CID 155067519
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 154679631
4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide
CID 154679649
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methylsulfonylazetidin-1-yl)methanone
CID 154679488
1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]-2,3,3a,4,5,6a-hexahydropyrrolo[2,3-c]pyrrol-6-one
CID 155059398
[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone
CID 154679550
4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 66829105
5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazole
CID 154679859

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine (CID 154679547) is 4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCOCC5)nc4)no3)c2cc1F.
What is the InChIKey of 4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is OTPXKODIYRCNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O4/c1-29-8-9-31-19-12-18-15(10-16(19)23)22(26-25-18)20-11-17(27-32-20)14-2-3-21(24-13-14)28-4-6-30-7-5-28/h2-3,10-13H,4-9H2,1H3,(H,25,26).
What are the key properties of 4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine?
4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 439.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 154679547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).