(1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

C26H30N2O — CID 10475271

IUPAC(1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(Cc1ccc2[nH]ccc2c1)CC3
InChIInChI=1S/C26H30N2O/c1-29-21-7-6-19-15-25-22-4-2-3-10-26(22,23(19)16-21)11-13-28(25)17-18-5-8-24-20(14-18)9-12-27-24/h5-9,12,14,16,22,25,27H,2-4,10-11,13,15,17H2,1H3/t22-,25+,26+/m0/s1
InChIKeyPSHQAWLHFNSWFA-HDYLNDSGSA-N
MW386.54 g/mol
LogP5.44
Rot. Bonds3

About (1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

(1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene (PubChem CID 10475271) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is (1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
PubChem CID10475271
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name(1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(Cc1ccc2[nH]ccc2c1)CC3
InChIInChI=1S/C26H30N2O/c1-29-21-7-6-19-15-25-22-4-2-3-10-26(22,23(19)16-21)11-13-28(25)17-18-5-8-24-20(14-18)9-12-27-24/h5-9,12,14,16,22,25,27H,2-4,10-11,13,15,17H2,1H3/t22-,25+,26+/m0/s1
InChIKeyPSHQAWLHFNSWFA-HDYLNDSGSA-N
XLogP5.44
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The IUPAC name of (1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene (CID 10475271) is (1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene.
What is the SMILES notation for (1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The canonical SMILES for (1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene is COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(Cc1ccc2[nH]ccc2c1)CC3.
What is the InChIKey of (1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The InChIKey is PSHQAWLHFNSWFA-HDYLNDSGSA-N. The full InChI is InChI=1S/C26H30N2O/c1-29-21-7-6-19-15-25-22-4-2-3-10-26(22,23(19)16-21)11-13-28(25)17-18-5-8-24-20(14-18)9-12-27-24/h5-9,12,14,16,22,25,27H,2-4,10-11,13,15,17H2,1H3/t22-,25+,26+/m0/s1.
What are the key properties of (1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
(1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene has a molecular weight of 386.54 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R)-17-(1H-indol-5-ylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene is sourced from PubChem (CID 10475271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).