(15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol

C19H24N2O2 — CID 11045206

IUPAC(15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
SMILESOCC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@H](O)C1)[C@@H]32
InChIInChI=1S/C19H24N2O2/c22-11-8-19-7-3-9-20-10-6-14-13-4-1-2-5-15(13)21(16(23)12-19)17(14)18(19)20/h1-2,4-5,16,18,22-23H,3,6-12H2/t16-,18+,19+/m0/s1
InChIKeyBEOISZGDGSWYCY-QXAKKESOSA-N
MW312.41 g/mol
LogP2.60
Rot. Bonds2

About (15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol

(15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol (PubChem CID 11045206) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol.

Molecular Properties

Compound Name(15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
PubChem CID11045206
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
SMILESOCC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@H](O)C1)[C@@H]32
InChIInChI=1S/C19H24N2O2/c22-11-8-19-7-3-9-20-10-6-14-13-4-1-2-5-15(13)21(16(23)12-19)17(14)18(19)20/h1-2,4-5,16,18,22-23H,3,6-12H2/t16-,18+,19+/m0/s1
InChIKeyBEOISZGDGSWYCY-QXAKKESOSA-N
XLogP2.60
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol with MolForge

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Related Compounds

15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
CID 73006730
(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol
CID 628233
15-ethyl-17-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene
CID 14825826
methyl (15S,17S,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
CID 10472322
(15S,16R,17R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-16,17-diol
CID 44613905
1-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 70622750
[(2R)-2-hydroxypropyl] (15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
CID 76968501
1,1,2,2,2-pentadeuterioethyl (15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
CID 169438439
[(15R,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]methyl benzoate
CID 70394529
(15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene
CID 11087694
(1R)-1-[(15S,17S,19R)-17-ethoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-15-yl]ethanol
CID 127030479
(15S,17S)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
CID 91382521

Frequently Asked Questions

What is the IUPAC name of (15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol?
The IUPAC name of (15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol (CID 11045206) is (15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol.
What is the SMILES notation for (15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol?
The canonical SMILES for (15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol is OCC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@H](O)C1)[C@@H]32.
What is the InChIKey of (15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol?
The InChIKey is BEOISZGDGSWYCY-QXAKKESOSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-11-8-19-7-3-9-20-10-6-14-13-4-1-2-5-15(13)21(16(23)12-19)17(14)18(19)20/h1-2,4-5,16,18,22-23H,3,6-12H2/t16-,18+,19+/m0/s1.
What are the key properties of (15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol?
(15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol has a molecular weight of 312.41 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol is sourced from PubChem (CID 11045206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).