3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine

C24H29N7O2 — CID 71522708

IUPAC3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine
SMILESCCC1COCCN1c1nc(N2CCOCC2C)c2[nH]c(-c3cccc4[nH]ccc34)nc2n1
InChIInChI=1S/C24H29N7O2/c1-3-16-14-33-12-10-31(16)24-28-22-20(23(29-24)30-9-11-32-13-15(30)2)26-21(27-22)18-5-4-6-19-17(18)7-8-25-19/h4-8,15-16,25H,3,9-14H2,1-2H3,(H,26,27,28,29)
InChIKeyNOPRMGZBKIPBHY-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.34
Rot. Bonds4

About 3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine

3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine (PubChem CID 71522708) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine.

Molecular Properties

Compound Name3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine
PubChem CID71522708
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine
SMILESCCC1COCCN1c1nc(N2CCOCC2C)c2[nH]c(-c3cccc4[nH]ccc34)nc2n1
InChIInChI=1S/C24H29N7O2/c1-3-16-14-33-12-10-31(16)24-28-22-20(23(29-24)30-9-11-32-13-15(30)2)26-21(27-22)18-5-4-6-19-17(18)7-8-25-19/h4-8,15-16,25H,3,9-14H2,1-2H3,(H,26,27,28,29)
InChIKeyNOPRMGZBKIPBHY-UHFFFAOYSA-N
XLogP3.34
TPSA95.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine with MolForge

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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
[4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol
CID 71523222
2-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]-6-oxa-2-azaspiro[3.5]nonane
CID 71522797
(3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine
CID 167270367
(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
(3R)-4-[2-(1H-indol-4-yl)-7-piperidin-3-ylquinazolin-4-yl]-3-methylmorpholine
CID 167270193
4-(6-chloro-2-pyridinyl)-3-ethylmorpholine
CID 63585973
(3R)-4-[2-(1H-indol-4-yl)-7,7-dimethyl-6-methylsulfonyl-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 170343302
[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137417929
(3R)-4-[6-(1H-indol-4-yl)-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine
CID 118720884
(3S)-3-ethyl-4-[4-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 175844619

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine?
The IUPAC name of 3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine (CID 71522708) is 3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine.
What is the SMILES notation for 3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine?
The canonical SMILES for 3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine is CCC1COCCN1c1nc(N2CCOCC2C)c2[nH]c(-c3cccc4[nH]ccc34)nc2n1.
What is the InChIKey of 3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine?
The InChIKey is NOPRMGZBKIPBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-3-16-14-33-12-10-31(16)24-28-22-20(23(29-24)30-9-11-32-13-15(30)2)26-21(27-22)18-5-4-6-19-17(18)7-8-25-19/h4-8,15-16,25H,3,9-14H2,1-2H3,(H,26,27,28,29).
What are the key properties of 3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine?
3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine has a molecular weight of 447.54 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[8-(1H-indol-4-yl)-6-(3-methylmorpholin-4-yl)-7H-purin-2-yl]morpholine is sourced from PubChem (CID 71522708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).