5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine

C33H25F2N3 — CID 68671320

IUPAC5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine
SMILESNc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(Cc3cc(F)cc(F)c3)cc12
InChIInChI=1S/C33H25F2N3/c34-28-19-24(20-29(35)22-28)18-23-16-17-31-30(21-23)32(36)37-38(31)33(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-17,19-22H,18H2,(H2,36,37)
InChIKeyPUVIZKQLGDWRLB-UHFFFAOYSA-N
MW501.58 g/mol
LogP7.33
Rot. Bonds6

About 5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine

5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine (PubChem CID 68671320) has the molecular formula C33H25F2N3 and a molecular weight of 501.58 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine
PubChem CID68671320
Molecular FormulaC33H25F2N3
Molecular Weight501.58 g/mol
Exact Mass501.20
IUPAC Name5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine
SMILESNc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(Cc3cc(F)cc(F)c3)cc12
InChIInChI=1S/C33H25F2N3/c34-28-19-24(20-29(35)22-28)18-23-16-17-31-30(21-23)32(36)37-38(31)33(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-17,19-22H,18H2,(H2,36,37)
InChIKeyPUVIZKQLGDWRLB-UHFFFAOYSA-N
XLogP7.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.58
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine 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 5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine?
The IUPAC name of 5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine (CID 68671320) is 5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine?
The canonical SMILES for 5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine is Nc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(Cc3cc(F)cc(F)c3)cc12.
What is the InChIKey of 5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine?
The InChIKey is PUVIZKQLGDWRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F2N3/c34-28-19-24(20-29(35)22-28)18-23-16-17-31-30(21-23)32(36)37-38(31)33(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-17,19-22H,18H2,(H2,36,37).
What are the key properties of 5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine?
5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine has a molecular weight of 501.58 g/mol, XLogP of 7.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-amine is sourced from PubChem (CID 68671320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).