(15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene

C20H26N2O — CID 46906969

IUPAC(15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene
SMILESCC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@H](OC)C1)[C@@H]32
InChIInChI=1S/C20H26N2O/c1-3-20-10-6-11-21-12-9-15-14-7-4-5-8-16(14)22(17(13-20)23-2)18(15)19(20)21/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17-,19+,20-/m0/s1
InChIKeyBVWWUWXMEWKEMC-SXLOBPIMSA-N
MW310.44 g/mol
LogP4.28
Rot. Bonds2

About (15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene

(15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene (PubChem CID 46906969) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene.

Molecular Properties

Compound Name(15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene
PubChem CID46906969
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene
SMILESCC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@H](OC)C1)[C@@H]32
InChIInChI=1S/C20H26N2O/c1-3-20-10-6-11-21-12-9-15-14-7-4-5-8-16(14)22(17(13-20)23-2)18(15)19(20)21/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17-,19+,20-/m0/s1
InChIKeyBVWWUWXMEWKEMC-SXLOBPIMSA-N
XLogP4.28
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene?
The IUPAC name of (15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene (CID 46906969) is (15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene.
What is the SMILES notation for (15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene?
The canonical SMILES for (15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene is CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@H](OC)C1)[C@@H]32.
What is the InChIKey of (15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene?
The InChIKey is BVWWUWXMEWKEMC-SXLOBPIMSA-N. The full InChI is InChI=1S/C20H26N2O/c1-3-20-10-6-11-21-12-9-15-14-7-4-5-8-16(14)22(17(13-20)23-2)18(15)19(20)21/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17-,19+,20-/m0/s1.
What are the key properties of (15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene?
(15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene has a molecular weight of 310.44 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene is sourced from PubChem (CID 46906969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).