24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile

C24H24ClN7O2 — CID 66679321

IUPAC24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile
SMILESCN1CC(=O)NCCCOc2ccc(cc2Cl)Nc2ncc(C#N)c(n2)Nc2cccc(c2)C1
InChIInChI=1S/C24H24ClN7O2/c1-32-14-16-4-2-5-18(10-16)29-23-17(12-26)13-28-24(31-23)30-19-6-7-21(20(25)11-19)34-9-3-8-27-22(33)15-32/h2,4-7,10-11,13H,3,8-9,14-15H2,1H3,(H,27,33)(H2,28,29,30,31)
InChIKeySZRMITKGVWGAAV-UHFFFAOYSA-N
MW477.96 g/mol
LogP3.82
Rot. Bonds

About 24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile

24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile (PubChem CID 66679321) has the molecular formula C24H24ClN7O2 and a molecular weight of 477.96 g/mol. Its IUPAC name is 24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile.

Molecular Properties

Compound Name24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile
PubChem CID66679321
Molecular FormulaC24H24ClN7O2
Molecular Weight477.96 g/mol
Exact Mass477.17
IUPAC Name24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile
SMILESCN1CC(=O)NCCCOc2ccc(cc2Cl)Nc2ncc(C#N)c(n2)Nc2cccc(c2)C1
InChIInChI=1S/C24H24ClN7O2/c1-32-14-16-4-2-5-18(10-16)29-23-17(12-26)13-28-24(31-23)30-19-6-7-21(20(25)11-19)34-9-3-8-27-22(33)15-32/h2,4-7,10-11,13H,3,8-9,14-15H2,1H3,(H,27,33)(H2,28,29,30,31)
InChIKeySZRMITKGVWGAAV-UHFFFAOYSA-N
XLogP3.82
TPSA115.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.96
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile 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 24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile?
The IUPAC name of 24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile (CID 66679321) is 24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile.
What is the SMILES notation for 24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile?
The canonical SMILES for 24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile is CN1CC(=O)NCCCOc2ccc(cc2Cl)Nc2ncc(C#N)c(n2)Nc2cccc(c2)C1.
What is the InChIKey of 24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile?
The InChIKey is SZRMITKGVWGAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O2/c1-32-14-16-4-2-5-18(10-16)29-23-17(12-26)13-28-24(31-23)30-19-6-7-21(20(25)11-19)34-9-3-8-27-22(33)15-32/h2,4-7,10-11,13H,3,8-9,14-15H2,1H3,(H,27,33)(H2,28,29,30,31).
What are the key properties of 24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile?
24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile has a molecular weight of 477.96 g/mol, XLogP of 3.82, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 24-chloro-15-methyl-17-oxo-22-oxa-2,4,8,15,18,29-hexazatetracyclo[21.2.2.13,7.19,13]nonacosa-1(25),3,5,7(29),9,11,13(28),23,26-nonaene-6-carbonitrile is sourced from PubChem (CID 66679321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).