[4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol

C23H27N7O3 — CID 71523222

IUPAC[4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol
SMILESC[C@@H]1COCCN1c1nc(N2CCOC(CO)C2)nc2nc(-c3cccc4[nH]ccc34)[nH]c12
InChIInChI=1S/C23H27N7O3/c1-14-13-32-9-8-30(14)22-19-21(27-23(28-22)29-7-10-33-15(11-29)12-31)26-20(25-19)17-3-2-4-18-16(17)5-6-24-18/h2-6,14-15,24,31H,7-13H2,1H3,(H,25,26,27,28)/t14-,15?/m1/s1
InChIKeyQTNDHTFTTXBVPK-GICMACPYSA-N
MW449.52 g/mol
LogP1.92
Rot. Bonds4

About [4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol

[4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol (PubChem CID 71523222) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is [4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol
PubChem CID71523222
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name[4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol
SMILESC[C@@H]1COCCN1c1nc(N2CCOC(CO)C2)nc2nc(-c3cccc4[nH]ccc34)[nH]c12
InChIInChI=1S/C23H27N7O3/c1-14-13-32-9-8-30(14)22-19-21(27-23(28-22)29-7-10-33-15(11-29)12-31)26-20(25-19)17-3-2-4-18-16(17)5-6-24-18/h2-6,14-15,24,31H,7-13H2,1H3,(H,25,26,27,28)/t14-,15?/m1/s1
InChIKeyQTNDHTFTTXBVPK-GICMACPYSA-N
XLogP1.92
TPSA115.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol?
The IUPAC name of [4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol (CID 71523222) is [4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol is C[C@@H]1COCCN1c1nc(N2CCOC(CO)C2)nc2nc(-c3cccc4[nH]ccc34)[nH]c12.
What is the InChIKey of [4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol?
The InChIKey is QTNDHTFTTXBVPK-GICMACPYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-14-13-32-9-8-30(14)22-19-21(27-23(28-22)29-7-10-33-15(11-29)12-31)26-20(25-19)17-3-2-4-18-16(17)5-6-24-18/h2-6,14-15,24,31H,7-13H2,1H3,(H,25,26,27,28)/t14-,15?/m1/s1.
What are the key properties of [4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol?
[4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol has a molecular weight of 449.52 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 71523222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).