N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide

C39H35FN4O — CID 169208403

IUPACN-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(-c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C39H35FN4O/c1-43-25-23-29(24-26-43)38(45)41-37-35-27-30(28-17-20-34(40)21-18-28)19-22-36(35)44(42-37)39(31-11-5-2-6-12-31,32-13-7-3-8-14-32)33-15-9-4-10-16-33/h2-22,27,29H,23-26H2,1H3,(H,41,42,45)
InChIKeyLCRSDYSBVKLZIL-UHFFFAOYSA-N
MW594.73 g/mol
LogP7.96
Rot. Bonds7

About N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide

N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 169208403) has the molecular formula C39H35FN4O and a molecular weight of 594.73 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide
PubChem CID169208403
Molecular FormulaC39H35FN4O
Molecular Weight594.73 g/mol
Exact Mass594.28
IUPAC NameN-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(-c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C39H35FN4O/c1-43-25-23-29(24-26-43)38(45)41-37-35-27-30(28-17-20-34(40)21-18-28)19-22-36(35)44(42-37)39(31-11-5-2-6-12-31,32-13-7-3-8-14-32)33-15-9-4-10-16-33/h2-22,27,29H,23-26H2,1H3,(H,41,42,45)
InChIKeyLCRSDYSBVKLZIL-UHFFFAOYSA-N
XLogP7.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.73
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide 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

N-[5-(2,6-dichlorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169207808
N-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide
CID 169207806
N-[5-(2,6-dichlorophenyl)-1-tritylindazol-3-yl]-4-(dimethylamino)cyclohexane-1-carboxamide
CID 169208467
(3S)-3-[[5-(2,6-dichlorophenyl)-1-tritylindazol-3-yl]carbamoyl]piperidine-1-carboxylic acid
CID 170170326
N-(5-bromo-1-tritylindazol-3-yl)-3-(methylamino)cyclobutane-1-carboxamide
CID 169207989
(3R)-3-[[5-(2-chloro-4-hydroxyphenyl)-1-tritylindazol-3-yl]carbamoyl]piperidine-1-carboxylic acid
CID 170170441
tert-butyl (3R)-3-[[5-(4-amino-2-chlorophenyl)-1-tritylindazol-3-yl]carbamoyl]piperidine-1-carboxylate
CID 169207941
tert-butyl (3R)-3-[[5-[2-chloro-5-(oxidoamino)phenyl]-1-tritylindazol-3-yl]carbamoyl]piperidine-1-carboxylate
CID 169208602
(3R)-3-[[5-(2-chloro-5-cyanophenyl)-1-tritylindazol-3-yl]carbamoyl]piperidine-1-carboxylic acid
CID 170170822
tert-butyl (3R)-3-[(5-ethoxy-1-tritylindazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 169208507
N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208506
[4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol
CID 170248340

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide (CID 169208403) is N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(-c4ccc(F)cc4)cc23)CC1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is LCRSDYSBVKLZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35FN4O/c1-43-25-23-29(24-26-43)38(45)41-37-35-27-30(28-17-20-34(40)21-18-28)19-22-36(35)44(42-37)39(31-11-5-2-6-12-31,32-13-7-3-8-14-32)33-15-9-4-10-16-33/h2-22,27,29H,23-26H2,1H3,(H,41,42,45).
What are the key properties of N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide?
N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 594.73 g/mol, XLogP of 7.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 169208403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).