4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine

C22H22N6O — CID 143785477

IUPAC4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine
SMILESC#CC(CC)n1cnc2c(-c3cccc4[nH]ccc34)nc(N3CCOCC3)nc21
InChIInChI=1S/C22H22N6O/c1-3-15(4-2)28-14-24-20-19(17-6-5-7-18-16(17)8-9-23-18)25-22(26-21(20)28)27-10-12-29-13-11-27/h1,5-9,14-15,23H,4,10-13H2,2H3
InChIKeyWHSIDUPLCHYZNR-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.40
Rot. Bonds4

About 4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine

4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine (PubChem CID 143785477) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine
PubChem CID143785477
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine
SMILESC#CC(CC)n1cnc2c(-c3cccc4[nH]ccc34)nc(N3CCOCC3)nc21
InChIInChI=1S/C22H22N6O/c1-3-15(4-2)28-14-24-20-19(17-6-5-7-18-16(17)8-9-23-18)25-22(26-21(20)28)27-10-12-29-13-11-27/h1,5-9,14-15,23H,4,10-13H2,2H3
InChIKeyWHSIDUPLCHYZNR-UHFFFAOYSA-N
XLogP3.40
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
CID 25256463
4-[6-(1H-inden-4-yl)-9-(3-methylbutan-2-yl)purin-2-yl]morpholine;2-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]butanenitrile;4-[6-(1H-inden-4-yl)-9-propan-2-ylpurin-2-yl]morpholine;3-[9-(3-methylbutan-2-yl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 123545416
4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine
CID 58102423
9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine
CID 69098224
4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508140
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 70224122
7-bromo-4-(1H-indol-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine
CID 130368044
5-[9-(3-methylbutan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 44600460
5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 44600625
9-butan-2-yl-2,6-dichloropurine;5-(9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyridin-2-amine
CID 158100431
4-[2-(1H-indol-4-yl)-6-(1-methylsulfinylcyclopropyl)pyrimidin-4-yl]morpholine
CID 142469063
4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 143838080

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine?
The IUPAC name of 4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine (CID 143785477) is 4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine.
What is the SMILES notation for 4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine?
The canonical SMILES for 4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine is C#CC(CC)n1cnc2c(-c3cccc4[nH]ccc34)nc(N3CCOCC3)nc21.
What is the InChIKey of 4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine?
The InChIKey is WHSIDUPLCHYZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-3-15(4-2)28-14-24-20-19(17-6-5-7-18-16(17)8-9-23-18)25-22(26-21(20)28)27-10-12-29-13-11-27/h1,5-9,14-15,23H,4,10-13H2,2H3.
What are the key properties of 4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine?
4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine has a molecular weight of 386.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine is sourced from PubChem (CID 143785477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).