(13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene

C24H18N2S — CID 137428043

IUPAC(13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene
SMILESC[C@]12C=Cc3sc4ccccc4c3C1c1ccccc1N2c1ccccn1
InChIInChI=1S/C24H18N2S/c1-24-14-13-20-22(17-9-3-5-11-19(17)27-20)23(24)16-8-2-4-10-18(16)26(24)21-12-6-7-15-25-21/h2-15,23H,1H3/t23?,24-/m0/s1
InChIKeyWOIYMLRHPOQBIK-CGAIIQECSA-N
MW366.49 g/mol
LogP6.37
Rot. Bonds1

About (13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene

(13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene (PubChem CID 137428043) has the molecular formula C24H18N2S and a molecular weight of 366.49 g/mol. Its IUPAC name is (13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene.

Molecular Properties

Compound Name(13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene
PubChem CID137428043
Molecular FormulaC24H18N2S
Molecular Weight366.49 g/mol
Exact Mass366.12
IUPAC Name(13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene
SMILESC[C@]12C=Cc3sc4ccccc4c3C1c1ccccc1N2c1ccccn1
InChIInChI=1S/C24H18N2S/c1-24-14-13-20-22(17-9-3-5-11-19(17)27-20)23(24)16-8-2-4-10-18(16)26(24)21-12-6-7-15-25-21/h2-15,23H,1H3/t23?,24-/m0/s1
InChIKeyWOIYMLRHPOQBIK-CGAIIQECSA-N
XLogP6.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene 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 (13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene?
The IUPAC name of (13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene (CID 137428043) is (13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene.
What is the SMILES notation for (13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene?
The canonical SMILES for (13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene is C[C@]12C=Cc3sc4ccccc4c3C1c1ccccc1N2c1ccccn1.
What is the InChIKey of (13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene?
The InChIKey is WOIYMLRHPOQBIK-CGAIIQECSA-N. The full InChI is InChI=1S/C24H18N2S/c1-24-14-13-20-22(17-9-3-5-11-19(17)27-20)23(24)16-8-2-4-10-18(16)26(24)21-12-6-7-15-25-21/h2-15,23H,1H3/t23?,24-/m0/s1.
What are the key properties of (13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene?
(13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene has a molecular weight of 366.49 g/mol, XLogP of 6.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (13S)-13-methyl-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene is sourced from PubChem (CID 137428043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).