(3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene

C25H32N4 — CID 135409816

IUPAC(3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene
SMILESC1=CC=C2NCCCCCNC3=CC=CC=C/C3=N\[C@@H]3CCCC[C@H]3/N=C/2C=C1
InChIInChI=1S/C25H32N4/c1-4-12-20-22(14-6-1)28-24-16-8-9-17-25(24)29-23-15-7-2-5-13-21(23)27-19-11-3-10-18-26-20/h1-2,4-7,12-15,24-27H,3,8-11,16-19H2/b28-22+,29-23+/t24-,25-/m1/s1
InChIKeyFOYIYWZJVNIZDF-CCEKDRRTSA-N
MW388.56 g/mol
LogP4.56
Rot. Bonds

About (3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene

(3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene (PubChem CID 135409816) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is (3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene.

Molecular Properties

Compound Name(3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene
PubChem CID135409816
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC Name(3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene
SMILESC1=CC=C2NCCCCCNC3=CC=CC=C/C3=N\[C@@H]3CCCC[C@H]3/N=C/2C=C1
InChIInChI=1S/C25H32N4/c1-4-12-20-22(14-6-1)28-24-16-8-9-17-25(24)29-23-15-7-2-5-13-21(23)27-19-11-3-10-18-26-20/h1-2,4-7,12-15,24-27H,3,8-11,16-19H2/b28-22+,29-23+/t24-,25-/m1/s1
InChIKeyFOYIYWZJVNIZDF-CCEKDRRTSA-N
XLogP4.56
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'colchicine_A(3)', 'substructure': 'N/A'}

Analyze (3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene 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

13,28-Dibromo-2,9,17,24-tetrazatricyclo[23.5.0.010,16]triaconta-1,10,12,14,16,25,27,29-octaene
CID 358335
2,10,18,26-Tetrazatricyclo[25.5.0.011,17]dotriaconta-1,10,12,14,16,27,29,31-octaene
CID 358337
(5aR,9aR)-2,4-dimethyl-5a,6,7,8,9,9a-hexahydro-1H-1,5-benzodiazepine
CID 102439079
(1R,6R,11R,17Z,20R)-16,18-dimethyl-2,5,12,15,19-pentazatricyclo[18.4.0.06,11]tetracosa-15,17-diene
CID 59529657
(1R,6R,11R,20R)-16,18-dimethyl-2,5,12,15,19-pentazatricyclo[18.4.0.06,11]tetracosa-15,17-diene
CID 70838047
2,7,15,20-Tetrazatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene
CID 358321
2,6,14,21-Tetrazatricyclo[20.5.0.07,13]heptacosa-1,6,8,10,12,22,24,26-octaene
CID 358327
(4aR,11aR)-2,3,4,4a,11,11a-hexahydro-1H-cyclohepta[b]quinoxaline
CID 10867349
2,6,14,20-Tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene
CID 10876259
(3S,5S)-3,5-dimethyl-2,6,14,21-tetrazatricyclo[20.5.0.07,13]heptacosa-1(27),7,9,11,13,21,23,25-octaene
CID 10916160
2,8,16,22-Tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene
CID 11813095
2,4-dimethyl-5a,6,7,8,9,9a-hexahydro-1H-1,5-benzodiazepine
CID 12462159

Frequently Asked Questions

What is the IUPAC name of (3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene?
The IUPAC name of (3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene (CID 135409816) is (3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene.
What is the SMILES notation for (3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene?
The canonical SMILES for (3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene is C1=CC=C2NCCCCCNC3=CC=CC=C/C3=N\[C@@H]3CCCC[C@H]3/N=C/2C=C1.
What is the InChIKey of (3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene?
The InChIKey is FOYIYWZJVNIZDF-CCEKDRRTSA-N. The full InChI is InChI=1S/C25H32N4/c1-4-12-20-22(14-6-1)28-24-16-8-9-17-25(24)29-23-15-7-2-5-13-21(23)27-19-11-3-10-18-26-20/h1-2,4-7,12-15,24-27H,3,8-11,16-19H2/b28-22+,29-23+/t24-,25-/m1/s1.
What are the key properties of (3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene?
(3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene has a molecular weight of 388.56 g/mol, XLogP of 4.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,9,11,13,15,24,26,28-octaene is sourced from PubChem (CID 135409816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).