2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene

C23H24N4S — CID 123739838

IUPAC2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene
SMILESCCC12CCC1(CC)C1N(c3cccs3)c3cncnc3N1c1ccccc12
InChIInChI=1S/C23H24N4S/c1-3-22-11-12-23(22,4-2)21-26(19-10-7-13-28-19)18-14-24-15-25-20(18)27(21)17-9-6-5-8-16(17)22/h5-10,13-15,21H,3-4,11-12H2,1-2H3
InChIKeyRPYSRDOESRKUDN-UHFFFAOYSA-N
MW388.54 g/mol
LogP6.01
Rot. Bonds3

About 2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene

2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene (PubChem CID 123739838) has the molecular formula C23H24N4S and a molecular weight of 388.54 g/mol. Its IUPAC name is 2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene.

Molecular Properties

Compound Name2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene
PubChem CID123739838
Molecular FormulaC23H24N4S
Molecular Weight388.54 g/mol
Exact Mass388.17
IUPAC Name2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene
SMILESCCC12CCC1(CC)C1N(c3cccs3)c3cncnc3N1c1ccccc12
InChIInChI=1S/C23H24N4S/c1-3-22-11-12-23(22,4-2)21-26(19-10-7-13-28-19)18-14-24-15-25-20(18)27(21)17-9-6-5-8-16(17)22/h5-10,13-15,21H,3-4,11-12H2,1-2H3
InChIKeyRPYSRDOESRKUDN-UHFFFAOYSA-N
XLogP6.01
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene with MolForge

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

Launch Full Analysis

Related Compounds

8,10-diethyl-9,10-dimethyl-12-thiophen-2-yl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene
CID 123269617
2,5-dimethyl-19-pyridin-4-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-3,6,8,10,13,15,17-heptaene
CID 134316781
ethane;4-ethyl-2-methyl-18-(2-methylphenyl)-11,13,16,18-tetrazapentacyclo[9.7.0.02,4.05,10.012,17]octadeca-5,7,9,12,14,16-hexaene
CID 144936213
5,5-diethyl-7-methyl-6-methylidene-6aH-purino[9,8-a]quinoline
CID 145283578
5,5,6-triethyl-7-propan-2-yl-6,6a-dihydropurino[7,8-a]quinoline
CID 123242421
1,3,17,28-tetramethyl-3,6,8,10,25,28-hexazaoctacyclo[15.13.0.02,10.04,9.011,16.018,30.019,24.025,29]triaconta-4,6,8,11,13,15,18(30),19,21,23,26-undecaene
CID 146532100
3,19-dimethyl-33-phenyl-3,6,8,10,26,33-hexazaoctacyclo[17.15.0.02,10.04,9.011,16.020,25.026,34.027,32]tetratriaconta-4,6,8,11,13,15,20,22,24,27,29,31-dodecaene
CID 134386237
8,8-diethyl-11-(2-methylphenyl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene
CID 123254423
8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene
CID 146532702
8,9-diethyl-13-pyridin-4-yl-1,13,15,17-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene
CID 123592363
4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 79910439
8-ethenyl-9-methyl-11-thiophen-2-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 126760152

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene?
The IUPAC name of 2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene (CID 123739838) is 2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene.
What is the SMILES notation for 2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene?
The canonical SMILES for 2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene is CCC12CCC1(CC)C1N(c3cccs3)c3cncnc3N1c1ccccc12.
What is the InChIKey of 2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene?
The InChIKey is RPYSRDOESRKUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4S/c1-3-22-11-12-23(22,4-2)21-26(19-10-7-13-28-19)18-14-24-15-25-20(18)27(21)17-9-6-5-8-16(17)22/h5-10,13-15,21H,3-4,11-12H2,1-2H3.
What are the key properties of 2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene?
2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene has a molecular weight of 388.54 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-19-thiophen-2-yl-12,14,16,19-tetrazapentacyclo[10.7.0.02,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene is sourced from PubChem (CID 123739838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).