10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile

C23H16N4OS — CID 10023655

IUPAC10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile
SMILESN#Cc1c(N2CCCC2)nc2sc3c(c2c1-c1ccccc1)-n1cccc1C3=O
InChIInChI=1S/C23H16N4OS/c24-13-15-17(14-7-2-1-3-8-14)18-19-21(20(28)16-9-6-12-27(16)19)29-23(18)25-22(15)26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11H2
InChIKeyTVMXARXZRHDDPJ-UHFFFAOYSA-N
MW396.48 g/mol
LogP4.77
Rot. Bonds2

About 10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile

10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile (PubChem CID 10023655) has the molecular formula C23H16N4OS and a molecular weight of 396.48 g/mol. Its IUPAC name is 10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile.

Molecular Properties

Compound Name10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile
PubChem CID10023655
Molecular FormulaC23H16N4OS
Molecular Weight396.48 g/mol
Exact Mass396.10
IUPAC Name10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile
SMILESN#Cc1c(N2CCCC2)nc2sc3c(c2c1-c1ccccc1)-n1cccc1C3=O
InChIInChI=1S/C23H16N4OS/c24-13-15-17(14-7-2-1-3-8-14)18-19-21(20(28)16-9-6-12-27(16)19)29-23(18)25-22(15)26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11H2
InChIKeyTVMXARXZRHDDPJ-UHFFFAOYSA-N
XLogP4.77
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile?
The IUPAC name of 10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile (CID 10023655) is 10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile.
What is the SMILES notation for 10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile?
The canonical SMILES for 10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile is N#Cc1c(N2CCCC2)nc2sc3c(c2c1-c1ccccc1)-n1cccc1C3=O.
What is the InChIKey of 10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile?
The InChIKey is TVMXARXZRHDDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4OS/c24-13-15-17(14-7-2-1-3-8-14)18-19-21(20(28)16-9-6-12-27(16)19)29-23(18)25-22(15)26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11H2.
What are the key properties of 10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile?
10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile has a molecular weight of 396.48 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile is sourced from PubChem (CID 10023655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).