4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate

C103H112N28O11 — CID 157433503

IUPAC4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate
SMILESC=CCCn1cnc2c(-c3ccc4cc[nH]c4c3)nc(N3CCOCC3)nc21.C=CCCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.CCOC(=O)CCn1cnc2c(-c3ccc4cc[nH]c4c3)nc(N3CCOCC3)nc21.CCOC(=O)CCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.c1cc2ccc(-c3nc(N4CCOCC4)nc4c3ncn4CC3CC3)cc2[nH]1
InChIInChI=1S/C22H24N6O3.2C21H22N6O.C20H23N5O4.C19H21N5O2/c1-2-31-18(29)6-8-28-14-24-20-19(16-4-3-15-5-7-23-17(15)13-16)25-22(26-21(20)28)27-9-11-30-12-10-27;1-2-14(1)12-27-13-23-19-18(16-4-3-15-5-6-22-17(15)11-16)24-21(25-20(19)27)26-7-9-28-10-8-26;1-2-3-8-27-14-23-19-18(16-5-4-15-6-7-22-17(15)13-16)24-21(25-20(19)27)26-9-11-28-12-10-26;1-2-29-16(27)6-7-25-13-21-18-17(14-4-3-5-15(26)12-14)22-20(23-19(18)25)24-8-10-28-11-9-24;1-2-3-7-24-13-20-17-16(14-5-4-6-15(25)12-14)21-19(22-18(17)24)23-8-10-26-11-9-23/h3-5,7,13-14,23H,2,6,8-12H2,1H3;3-6,11,13-14,22H,1-2,7-10,12H2;2,4-7,13-14,22H,1,3,8-12H2;3-5,12-13,26H,2,6-11H2,1H3;2,4-6,12-13,25H,1,3,7-11H2
InChIKeyBQVBEFUMHQZGSU-UHFFFAOYSA-N
MW1918.21 g/mol
LogP13.97
Rot. Bonds26

About 4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate

4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate (PubChem CID 157433503) has the molecular formula C103H112N28O11 and a molecular weight of 1918.21 g/mol. Its IUPAC name is 4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate.

Molecular Properties

Compound Name4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate
PubChem CID157433503
Molecular FormulaC103H112N28O11
Molecular Weight1918.21 g/mol
Exact Mass1916.91
IUPAC Name4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate
SMILESC=CCCn1cnc2c(-c3ccc4cc[nH]c4c3)nc(N3CCOCC3)nc21.C=CCCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.CCOC(=O)CCn1cnc2c(-c3ccc4cc[nH]c4c3)nc(N3CCOCC3)nc21.CCOC(=O)CCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.c1cc2ccc(-c3nc(N4CCOCC4)nc4c3ncn4CC3CC3)cc2[nH]1
InChIInChI=1S/C22H24N6O3.2C21H22N6O.C20H23N5O4.C19H21N5O2/c1-2-31-18(29)6-8-28-14-24-20-19(16-4-3-15-5-7-23-17(15)13-16)25-22(26-21(20)28)27-9-11-30-12-10-27;1-2-14(1)12-27-13-23-19-18(16-4-3-15-5-6-22-17(15)11-16)24-21(25-20(19)27)26-7-9-28-10-8-26;1-2-3-8-27-14-23-19-18(16-5-4-15-6-7-22-17(15)13-16)24-21(25-20(19)27)26-9-11-28-12-10-26;1-2-29-16(27)6-7-25-13-21-18-17(14-4-3-5-15(26)12-14)22-20(23-19(18)25)24-8-10-28-11-9-24;1-2-3-7-24-13-20-17-16(14-5-4-6-15(25)12-14)21-19(22-18(17)24)23-8-10-26-11-9-23/h3-5,7,13-14,23H,2,6,8-12H2,1H3;3-6,11,13-14,22H,1-2,7-10,12H2;2,4-7,13-14,22H,1,3,8-12H2;3-5,12-13,26H,2,6-11H2,1H3;2,4-6,12-13,25H,1,3,7-11H2
InChIKeyBQVBEFUMHQZGSU-UHFFFAOYSA-N
XLogP13.97
TPSA420.78 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds26
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001918.21
LogP ≤ 513.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide
CID 90736300
ethyl 2-[2-chloro-6-(3-hydroxyphenyl)purin-9-yl]acetate;ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate;morpholine
CID 158240757
4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine
CID 58102437
4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine
CID 58102423
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 44608912
3-[9-[2-(diethylamino)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25256551
3-[9-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25255155
3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
CID 25256550
3-[2-morpholin-4-yl-9-[[3-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methyl]purin-6-yl]phenol
CID 143785478
3-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]-3-piperidin-1-ylpropanamide
CID 68731809
[1-[3-(cyclopropylmethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-3-(3-methylphenyl)pyrazol-5-yl]methanol
CID 172568664
1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one
CID 160607967

Frequently Asked Questions

What is the IUPAC name of 4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate?
The IUPAC name of 4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate (CID 157433503) is 4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate.
What is the SMILES notation for 4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate?
The canonical SMILES for 4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate is C=CCCn1cnc2c(-c3ccc4cc[nH]c4c3)nc(N3CCOCC3)nc21.C=CCCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.CCOC(=O)CCn1cnc2c(-c3ccc4cc[nH]c4c3)nc(N3CCOCC3)nc21.CCOC(=O)CCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.c1cc2ccc(-c3nc(N4CCOCC4)nc4c3ncn4CC3CC3)cc2[nH]1.
What is the InChIKey of 4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate?
The InChIKey is BQVBEFUMHQZGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3.2C21H22N6O.C20H23N5O4.C19H21N5O2/c1-2-31-18(29)6-8-28-14-24-20-19(16-4-3-15-5-7-23-17(15)13-16)25-22(26-21(20)28)27-9-11-30-12-10-27;1-2-14(1)12-27-13-23-19-18(16-4-3-15-5-6-22-17(15)11-16)24-21(25-20(19)27)26-7-9-28-10-8-26;1-2-3-8-27-14-23-19-18(16-5-4-15-6-7-22-17(15)13-16)24-21(25-20(19)27)26-9-11-28-12-10-26;1-2-29-16(27)6-7-25-13-21-18-17(14-4-3-5-15(26)12-14)22-20(23-19(18)25)24-8-10-28-11-9-24;1-2-3-7-24-13-20-17-16(14-5-4-6-15(25)12-14)21-19(22-18(17)24)23-8-10-26-11-9-23/h3-5,7,13-14,23H,2,6,8-12H2,1H3;3-6,11,13-14,22H,1-2,7-10,12H2;2,4-7,13-14,22H,1,3,8-12H2;3-5,12-13,26H,2,6-11H2,1H3;2,4-6,12-13,25H,1,3,7-11H2.
What are the key properties of 4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate?
4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate has a molecular weight of 1918.21 g/mol, XLogP of 13.97, 26 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate is sourced from PubChem (CID 157433503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).