12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

C23H23N5 — CID 58382489

IUPAC12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCn1ccc2cc(-c3nc(C4CCCCC4)n4c3cnc3[nH]ccc34)ccc21
InChIInChI=1S/C23H23N5/c1-27-12-10-16-13-17(7-8-18(16)27)21-20-14-25-22-19(9-11-24-22)28(20)23(26-21)15-5-3-2-4-6-15/h7-15,24H,2-6H2,1H3
InChIKeyBZOIKYOSLOWIIX-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.42
Rot. Bonds2

About 12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (PubChem CID 58382489) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.

Molecular Properties

Compound Name12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
PubChem CID58382489
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCn1ccc2cc(-c3nc(C4CCCCC4)n4c3cnc3[nH]ccc34)ccc21
InChIInChI=1S/C23H23N5/c1-27-12-10-16-13-17(7-8-18(16)27)21-20-14-25-22-19(9-11-24-22)28(20)23(26-21)15-5-3-2-4-6-15/h7-15,24H,2-6H2,1H3
InChIKeyBZOIKYOSLOWIIX-UHFFFAOYSA-N
XLogP5.42
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene 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 12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The IUPAC name of 12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (CID 58382489) is 12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.
What is the SMILES notation for 12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The canonical SMILES for 12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is Cn1ccc2cc(-c3nc(C4CCCCC4)n4c3cnc3[nH]ccc34)ccc21.
What is the InChIKey of 12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The InChIKey is BZOIKYOSLOWIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-27-12-10-16-13-17(7-8-18(16)27)21-20-14-25-22-19(9-11-24-22)28(20)23(26-21)15-5-3-2-4-6-15/h7-15,24H,2-6H2,1H3.
What are the key properties of 12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene has a molecular weight of 369.47 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-cyclohexyl-10-(1-methylindol-5-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is sourced from PubChem (CID 58382489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).