(19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

C23H16N2O2 — CID 16682384

IUPAC(19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1C2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccccn1
InChIInChI=1S/C23H16N2O2/c26-22-20-18-13-7-1-2-8-14(13)19(16-10-4-3-9-15(16)18)21(20)23(27)25(22)17-11-5-6-12-24-17/h1-12,18-21H/t18?,19?,20-,21?/m0/s1
InChIKeyLMUNYUSBDBQCSK-WVEVRRLPSA-N
MW352.39 g/mol
LogP3.48
Rot. Bonds1

About (19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

(19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (PubChem CID 16682384) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is (19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.

Molecular Properties

Compound Name(19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
PubChem CID16682384
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name(19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1C2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccccn1
InChIInChI=1S/C23H16N2O2/c26-22-20-18-13-7-1-2-8-14(13)19(16-10-4-3-9-15(16)18)21(20)23(27)25(22)17-11-5-6-12-24-17/h1-12,18-21H/t18?,19?,20-,21?/m0/s1
InChIKeyLMUNYUSBDBQCSK-WVEVRRLPSA-N
XLogP3.48
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The IUPAC name of (19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (CID 16682384) is (19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
What is the SMILES notation for (19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The canonical SMILES for (19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is O=C1C2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccccn1.
What is the InChIKey of (19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The InChIKey is LMUNYUSBDBQCSK-WVEVRRLPSA-N. The full InChI is InChI=1S/C23H16N2O2/c26-22-20-18-13-7-1-2-8-14(13)19(16-10-4-3-9-15(16)18)21(20)23(27)25(22)17-11-5-6-12-24-17/h1-12,18-21H/t18?,19?,20-,21?/m0/s1.
What are the key properties of (19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
(19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione has a molecular weight of 352.39 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (19S)-17-pyridin-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is sourced from PubChem (CID 16682384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).