3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol

C58H65F3N10O5 — CID 162149875

IUPAC3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
SMILESCC1NCCc2c1[nH]c1ccc(O)cc21.CCC1NCCc2c1[nH]c1ccc(O)cc21.NCCc1c[nH]c2ccc(O)cc12.Oc1ccc2[nH]c3c(c2c1)CCNC3.Oc1ccc2[nH]c3c(c2c1)CCNC3C(F)(F)F
InChIInChI=1S/C13H16N2O.C12H11F3N2O.C12H14N2O.C11H12N2O.C10H12N2O/c1-2-11-13-9(5-6-14-11)10-7-8(16)3-4-12(10)15-13;13-12(14,15)11-10-7(3-4-16-11)8-5-6(18)1-2-9(8)17-10;1-7-12-9(4-5-13-7)10-6-8(15)2-3-11(10)14-12;14-7-1-2-10-9(5-7)8-3-4-12-6-11(8)13-10;11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h3-4,7,11,14-16H,2,5-6H2,1H3;1-2,5,11,16-18H,3-4H2;2-3,6-7,13-15H,4-5H2,1H3;1-2,5,12-14H,3-4,6H2;1-2,5-6,12-13H,3-4,11H2
InChIKeyZLBDTFURLQSQGW-UHFFFAOYSA-N
MW1039.22 g/mol
LogP10.07
Rot. Bonds3

About 3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol

3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol (PubChem CID 162149875) has the molecular formula C58H65F3N10O5 and a molecular weight of 1039.22 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
PubChem CID162149875
Molecular FormulaC58H65F3N10O5
Molecular Weight1039.22 g/mol
Exact Mass1038.51
IUPAC Name3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
SMILESCC1NCCc2c1[nH]c1ccc(O)cc21.CCC1NCCc2c1[nH]c1ccc(O)cc21.NCCc1c[nH]c2ccc(O)cc12.Oc1ccc2[nH]c3c(c2c1)CCNC3.Oc1ccc2[nH]c3c(c2c1)CCNC3C(F)(F)F
InChIInChI=1S/C13H16N2O.C12H11F3N2O.C12H14N2O.C11H12N2O.C10H12N2O/c1-2-11-13-9(5-6-14-11)10-7-8(16)3-4-12(10)15-13;13-12(14,15)11-10-7(3-4-16-11)8-5-6(18)1-2-9(8)17-10;1-7-12-9(4-5-13-7)10-6-8(15)2-3-11(10)14-12;14-7-1-2-10-9(5-7)8-3-4-12-6-11(8)13-10;11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h3-4,7,11,14-16H,2,5-6H2,1H3;1-2,5,11,16-18H,3-4H2;2-3,6-7,13-15H,4-5H2,1H3;1-2,5,12-14H,3-4,6H2;1-2,5-6,12-13H,3-4,11H2
InChIKeyZLBDTFURLQSQGW-UHFFFAOYSA-N
XLogP10.07
TPSA254.24 Ų
H-Bond Donors15
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001039.22
LogP ≤ 510.07
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol with MolForge

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Related Compounds

10-Hydroxyusambarensine
CID 10433813
3-[1-[9-[4-(5-hydroxy-1H-indol-3-yl)piperidin-1-yl]nonyl]piperidin-4-yl]-1H-indol-5-ol
CID 44533102
3-[[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 56964795
3-[[6-[bis(5-hydroxy-1H-indol-3-yl)methyl]-3-pyridinyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 127034772
3-[[10-[bis(5-hydroxy-1H-indol-3-yl)methyl]anthracen-9-yl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 155564501
3-[[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]-2,3,5,6-tetrafluorophenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 155566362
10'-Hydroxyusambarensine
CID 44566377
3-[(5-hydroxy-1H-indol-3-yl)-[4-[(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]methyl]-1H-indol-5-ol
CID 57326980
3-[[10-[bis(5-hydroxy-1H-indol-3-yl)methyl]-1,2,3,4-tetrahydroanthracen-9-yl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 155539876
3-[[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]-2,3,5,6-tetramethylphenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 155550885
3-[[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]-2,5-dimethylphenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 155561019
3-[[4-[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 155564190

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol?
The IUPAC name of 3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol (CID 162149875) is 3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol.
What is the SMILES notation for 3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol?
The canonical SMILES for 3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol is CC1NCCc2c1[nH]c1ccc(O)cc21.CCC1NCCc2c1[nH]c1ccc(O)cc21.NCCc1c[nH]c2ccc(O)cc12.Oc1ccc2[nH]c3c(c2c1)CCNC3.Oc1ccc2[nH]c3c(c2c1)CCNC3C(F)(F)F.
What is the InChIKey of 3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol?
The InChIKey is ZLBDTFURLQSQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C12H11F3N2O.C12H14N2O.C11H12N2O.C10H12N2O/c1-2-11-13-9(5-6-14-11)10-7-8(16)3-4-12(10)15-13;13-12(14,15)11-10-7(3-4-16-11)8-5-6(18)1-2-9(8)17-10;1-7-12-9(4-5-13-7)10-6-8(15)2-3-11(10)14-12;14-7-1-2-10-9(5-7)8-3-4-12-6-11(8)13-10;11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h3-4,7,11,14-16H,2,5-6H2,1H3;1-2,5,11,16-18H,3-4H2;2-3,6-7,13-15H,4-5H2,1H3;1-2,5,12-14H,3-4,6H2;1-2,5-6,12-13H,3-4,11H2.
What are the key properties of 3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol?
3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol has a molecular weight of 1039.22 g/mol, XLogP of 10.07, 3 rotatable bonds, 15 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-indol-5-ol;1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol is sourced from PubChem (CID 162149875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).