3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol

C25H20BrN5O — CID 68571201

IUPAC3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol
SMILESNC1(c2ccc(-c3nc4c(cnc5c(Br)cnn54)cc3-c3ccccc3)cc2)CC(O)C1
InChIInChI=1S/C25H20BrN5O/c26-21-14-29-31-23-17(13-28-24(21)31)10-20(15-4-2-1-3-5-15)22(30-23)16-6-8-18(9-7-16)25(27)11-19(32)12-25/h1-10,13-14,19,32H,11-12,27H2
InChIKeySVBGGDVTIUZOFM-UHFFFAOYSA-N
MW486.37 g/mol
LogP4.68
Rot. Bonds3

About 3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol

3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol (PubChem CID 68571201) has the molecular formula C25H20BrN5O and a molecular weight of 486.37 g/mol. Its IUPAC name is 3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol
PubChem CID68571201
Molecular FormulaC25H20BrN5O
Molecular Weight486.37 g/mol
Exact Mass485.09
IUPAC Name3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol
SMILESNC1(c2ccc(-c3nc4c(cnc5c(Br)cnn54)cc3-c3ccccc3)cc2)CC(O)C1
InChIInChI=1S/C25H20BrN5O/c26-21-14-29-31-23-17(13-28-24(21)31)10-20(15-4-2-1-3-5-15)22(30-23)16-6-8-18(9-7-16)25(27)11-19(32)12-25/h1-10,13-14,19,32H,11-12,27H2
InChIKeySVBGGDVTIUZOFM-UHFFFAOYSA-N
XLogP4.68
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.37
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol 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

3,3-difluoro-1-[4-(4-methyl-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-amine
CID 46940061
3-amino-1-cyclopropyl-3-[4-[4-(4-fluorophenyl)-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl]phenyl]cyclobutan-1-ol
CID 46939977
3-amino-1-cyclopropyl-3-[4-(4-cyclopropyl-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol;12-chloro-4-cyclopropyl-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 160887067
3-fluoro-1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine
CID 44556030
3-amino-3-[4-[11-(3-fluorophenyl)-4-methyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl]phenyl]-1-methylcyclobutan-1-ol
CID 58034752
3-amino-1-methyl-3-[4-(4-methyl-11-pyridin-4-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol
CID 58034438
2-[3-methoxy-1-[4-(4-methyl-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutyl]isoindole-1,3-dione
CID 66629090
1-[4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone;dihydrochloride
CID 173038104
1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine
CID 57378515
3-amino-1-methyl-3-[4-(4-methyl-11-thiophen-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol
CID 46940148
2-[3-hydroxy-1-[4-(4-methyl-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]-3-propan-2-ylcyclobutyl]isoindole-1,3-dione
CID 58034709
4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol
CID 58524549

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol?
The IUPAC name of 3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol (CID 68571201) is 3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol?
The canonical SMILES for 3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol is NC1(c2ccc(-c3nc4c(cnc5c(Br)cnn54)cc3-c3ccccc3)cc2)CC(O)C1.
What is the InChIKey of 3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol?
The InChIKey is SVBGGDVTIUZOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN5O/c26-21-14-29-31-23-17(13-28-24(21)31)10-20(15-4-2-1-3-5-15)22(30-23)16-6-8-18(9-7-16)25(27)11-19(32)12-25/h1-10,13-14,19,32H,11-12,27H2.
What are the key properties of 3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol?
3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol has a molecular weight of 486.37 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-(5-bromo-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 68571201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).