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

C24H29N7O3 — CID 71522969

IUPAC[4-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1H-indol-6-yl]methanol
SMILESC[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2[nH]c(-c3cc(CO)cc4[nH]ccc34)nc2n1
InChIInChI=1S/C24H29N7O3/c1-14-12-33-7-5-30(14)23-20-22(28-24(29-23)31-6-8-34-13-15(31)2)27-21(26-20)18-9-16(11-32)10-19-17(18)3-4-25-19/h3-4,9-10,14-15,25,32H,5-8,11-13H2,1-2H3,(H,26,27,28,29)/t14-,15-/m1/s1
InChIKeyWYYXLVJZNVDSHH-HUUCEWRRSA-N
MW463.54 g/mol
LogP2.44
Rot. Bonds4

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

[4-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1H-indol-6-yl]methanol (PubChem CID 71522969) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is [4-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1H-indol-6-yl]methanol.

Molecular Properties

Compound Name[4-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1H-indol-6-yl]methanol
PubChem CID71522969
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name[4-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1H-indol-6-yl]methanol
SMILESC[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2[nH]c(-c3cc(CO)cc4[nH]ccc34)nc2n1
InChIInChI=1S/C24H29N7O3/c1-14-12-33-7-5-30(14)23-20-22(28-24(29-23)31-6-8-34-13-15(31)2)27-21(26-20)18-9-16(11-32)10-19-17(18)3-4-25-19/h3-4,9-10,14-15,25,32H,5-8,11-13H2,1-2H3,(H,26,27,28,29)/t14-,15-/m1/s1
InChIKeyWYYXLVJZNVDSHH-HUUCEWRRSA-N
XLogP2.44
TPSA115.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1H-indol-6-yl]methanol?
The IUPAC name of [4-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1H-indol-6-yl]methanol (CID 71522969) is [4-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1H-indol-6-yl]methanol.
What is the SMILES notation for [4-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1H-indol-6-yl]methanol?
The canonical SMILES for [4-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1H-indol-6-yl]methanol is C[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2[nH]c(-c3cc(CO)cc4[nH]ccc34)nc2n1.
What is the InChIKey of [4-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1H-indol-6-yl]methanol?
The InChIKey is WYYXLVJZNVDSHH-HUUCEWRRSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-14-12-33-7-5-30(14)23-20-22(28-24(29-23)31-6-8-34-13-15(31)2)27-21(26-20)18-9-16(11-32)10-19-17(18)3-4-25-19/h3-4,9-10,14-15,25,32H,5-8,11-13H2,1-2H3,(H,26,27,28,29)/t14-,15-/m1/s1.
What are the key properties of [4-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1H-indol-6-yl]methanol?
[4-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1H-indol-6-yl]methanol has a molecular weight of 463.54 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1H-indol-6-yl]methanol is sourced from PubChem (CID 71522969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).