4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine

C25H25N5O2 — CID 122212727

IUPAC4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2coc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)n2)CC(C)O1
InChIInChI=1S/C25H25N5O2/c1-15-11-30(12-16(2)32-15)13-18-14-31-25(28-18)21-8-17(9-24-22(21)10-27-29-24)19-4-3-5-23-20(19)6-7-26-23/h3-10,14-16,26H,11-13H2,1-2H3,(H,27,29)
InChIKeyAJJPCIHSEFFMQH-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.98
Rot. Bonds4

About 4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine

4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 122212727) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine
PubChem CID122212727
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2coc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)n2)CC(C)O1
InChIInChI=1S/C25H25N5O2/c1-15-11-30(12-16(2)32-15)13-18-14-31-25(28-18)21-8-17(9-24-22(21)10-27-29-24)19-4-3-5-23-20(19)6-7-26-23/h3-10,14-16,26H,11-13H2,1-2H3,(H,27,29)
InChIKeyAJJPCIHSEFFMQH-UHFFFAOYSA-N
XLogP4.98
TPSA82.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

Nemiralisib
CID 49784002
Gsk-2292767
CID 49783923
(2s)-1-{[6-Furan-3-Yl-5-(3-Methyl-2h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-(1h-Indol-3-Yl)propan-2-Amine
CID 46225540
(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-indazol-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
CID 46190874
2-(6-(1H-Indol-4-yl)-1H-indazol-4-yl)-5-((4-isopropylpiperazin-1-yl)methyl)oxazole hydrochloride
CID 49784084
(S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 46190875
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225589
(S)-1-(6-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 46226075
(S)-1-(7-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 46226076
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine
CID 11495551
[(1S)-2-{[6-(3-furanyl)-5-(3-methyl-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy}-1-(1H-indol-3-ylmethyl)ethyl]amine
CID 46225573
N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52933917

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine (CID 122212727) is 4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine is CC1CN(Cc2coc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)n2)CC(C)O1.
What is the InChIKey of 4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is AJJPCIHSEFFMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-15-11-30(12-16(2)32-15)13-18-14-31-25(28-18)21-8-17(9-24-22(21)10-27-29-24)19-4-3-5-23-20(19)6-7-26-23/h3-10,14-16,26H,11-13H2,1-2H3,(H,27,29).
What are the key properties of 4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine?
4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 427.51 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 122212727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).