2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane

C25H29N7O2 — CID 71522797

IUPAC2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane
SMILESCC1COCCN1c1nc(N2CC3(CCCOC3)C2)nc2nc(-c3cccc4[nH]ccc34)[nH]c12
InChIInChI=1S/C25H29N7O2/c1-16-12-33-11-9-32(16)23-20-22(28-21(27-20)18-4-2-5-19-17(18)6-8-26-19)29-24(30-23)31-13-25(14-31)7-3-10-34-15-25/h2,4-6,8,16,26H,3,7,9-15H2,1H3,(H,27,28,29,30)
InChIKeyYSCATYXMESOBRI-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.34
Rot. Bonds3

About 2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane

2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane (PubChem CID 71522797) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane
PubChem CID71522797
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane
SMILESCC1COCCN1c1nc(N2CC3(CCCOC3)C2)nc2nc(-c3cccc4[nH]ccc34)[nH]c12
InChIInChI=1S/C25H29N7O2/c1-16-12-33-11-9-32(16)23-20-22(28-21(27-20)18-4-2-5-19-17(18)6-8-26-19)29-24(30-23)31-13-25(14-31)7-3-10-34-15-25/h2,4-6,8,16,26H,3,7,9-15H2,1H3,(H,27,28,29,30)
InChIKeyYSCATYXMESOBRI-UHFFFAOYSA-N
XLogP3.34
TPSA95.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 71522799
3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine
CID 71522708
[4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol
CID 71523222
(3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine
CID 167270367
(3R)-4-[2-(1H-indol-4-yl)-7,7-dimethyl-6-methylsulfonyl-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 170343302
(3R)-4-[6-(1H-indol-4-yl)-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 167269705
(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406154
4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine
CID 75184871
(3R)-4-[2-(1H-indol-4-yl)-7-piperidin-3-ylquinazolin-4-yl]-3-methylmorpholine
CID 167270193
[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137417929
imino-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxan-4-yl]-methyl-oxo-λ6-sulfane
CID 54762020
(3R)-4-[6-(1H-indol-4-yl)-1-(1-methylsulfonylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 167269527

Frequently Asked Questions

What is the IUPAC name of 2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane (CID 71522797) is 2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane is CC1COCCN1c1nc(N2CC3(CCCOC3)C2)nc2nc(-c3cccc4[nH]ccc34)[nH]c12.
What is the InChIKey of 2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane?
The InChIKey is YSCATYXMESOBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-16-12-33-11-9-32(16)23-20-22(28-21(27-20)18-4-2-5-19-17(18)6-8-26-19)29-24(30-23)31-13-25(14-31)7-3-10-34-15-25/h2,4-6,8,16,26H,3,7,9-15H2,1H3,(H,27,28,29,30).
What are the key properties of 2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane?
2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane has a molecular weight of 459.55 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 71522797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).