5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

C24H27N7O2 — CID 71523136

IUPAC5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESC[C@@H]1COCCN1c1nc(N2CC3COCC3C2)nc2nc(-c3cccc4[nH]ccc34)[nH]c12
InChIInChI=1S/C24H27N7O2/c1-14-11-32-8-7-31(14)23-20-22(28-24(29-23)30-9-15-12-33-13-16(15)10-30)27-21(26-20)18-3-2-4-19-17(18)5-6-25-19/h2-6,14-16,25H,7-13H2,1H3,(H,26,27,28,29)/t14-,15?,16?/m1/s1
InChIKeyRMEKIIKTXNLDHE-QQFBHYJXSA-N
MW445.53 g/mol
LogP2.81
Rot. Bonds3

About 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (PubChem CID 71523136) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
PubChem CID71523136
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESC[C@@H]1COCCN1c1nc(N2CC3COCC3C2)nc2nc(-c3cccc4[nH]ccc34)[nH]c12
InChIInChI=1S/C24H27N7O2/c1-14-11-32-8-7-31(14)23-20-22(28-24(29-23)30-9-15-12-33-13-16(15)10-30)27-21(26-20)18-3-2-4-19-17(18)5-6-25-19/h2-6,14-16,25H,7-13H2,1H3,(H,26,27,28,29)/t14-,15?,16?/m1/s1
InChIKeyRMEKIIKTXNLDHE-QQFBHYJXSA-N
XLogP2.81
TPSA95.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole with MolForge

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Related Compounds

6-Fluoro-4-[(3ar,6ar)-Hexahydropyrrolo[3,4-B]pyrrol-5(1h)-Yl]-N-Methyl-2-[(2-Methylpyrimidin-5-Yl)oxy]-9h-Pyrimido[4,5-B]indol-8-Amine
CID 66560858
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
(3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine
CID 155925935
4-(2-(1H-indol-6-yl)-9H-purin-6-yl)morpholine
CID 46225260
2-(1-{[2-(5-Fluoro-1h-Indol-4-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378051
(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-c]pyridin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
CID 118720886
(3R)-4-[6-(1H-indol-4-yl)-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine
CID 118720884
(3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-1-methylimidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine
CID 118720887
(3S)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 162649372
(3R)-1-[[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 162662807

Frequently Asked Questions

What is the IUPAC name of 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The IUPAC name of 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (CID 71523136) is 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.
What is the SMILES notation for 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The canonical SMILES for 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is C[C@@H]1COCCN1c1nc(N2CC3COCC3C2)nc2nc(-c3cccc4[nH]ccc34)[nH]c12.
What is the InChIKey of 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The InChIKey is RMEKIIKTXNLDHE-QQFBHYJXSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-14-11-32-8-7-31(14)23-20-22(28-24(29-23)30-9-15-12-33-13-16(15)10-30)27-21(26-20)18-3-2-4-19-17(18)5-6-25-19/h2-6,14-16,25H,7-13H2,1H3,(H,26,27,28,29)/t14-,15?,16?/m1/s1.
What are the key properties of 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole has a molecular weight of 445.53 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 71523136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).