N-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide

C32H29BrN4O — CID 169207806

IUPACN-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(Br)cc12)C1CCNCC1
InChIInChI=1S/C32H29BrN4O/c33-27-16-17-29-28(22-27)30(35-31(38)23-18-20-34-21-19-23)36-37(29)32(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-17,22-23,34H,18-21H2,(H,35,36,38)
InChIKeyHNWUUPGZUJIEMI-UHFFFAOYSA-N
MW565.52 g/mol
LogP6.58
Rot. Bonds6

About N-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide

N-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide (PubChem CID 169207806) has the molecular formula C32H29BrN4O and a molecular weight of 565.52 g/mol. Its IUPAC name is N-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide
PubChem CID169207806
Molecular FormulaC32H29BrN4O
Molecular Weight565.52 g/mol
Exact Mass564.15
IUPAC NameN-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(Br)cc12)C1CCNCC1
InChIInChI=1S/C32H29BrN4O/c33-27-16-17-29-28(22-27)30(35-31(38)23-18-20-34-21-19-23)36-37(29)32(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-17,22-23,34H,18-21H2,(H,35,36,38)
InChIKeyHNWUUPGZUJIEMI-UHFFFAOYSA-N
XLogP6.58
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.52
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-1-tritylindazol-3-yl)-3-(methylamino)cyclobutane-1-carboxamide
CID 169207989
N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208403
N-[5-(2,6-dichlorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169207808
N-[5-(2,6-dichlorophenyl)-1-tritylindazol-3-yl]-4-(dimethylamino)cyclohexane-1-carboxamide
CID 169208467
(3R)-3-[[5-(2-chloro-5-cyanophenyl)-1-tritylindazol-3-yl]carbamoyl]piperidine-1-carboxylic acid
CID 170170822
N-(6-bromo-1-tritylindazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
CID 134472187
(3R)-3-[[5-(2-chloro-5-propan-2-yloxycarbonylphenyl)-1-tritylindazol-3-yl]carbamoyl]piperidine-1-carboxylic acid
CID 170170231
5-bromo-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid
CID 67220563
N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119308213
5-nitro-N,1-ditritylindazol-3-amine
CID 142710416
N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide
CID 103813896
[4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol
CID 170248340

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide (CID 169207806) is N-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide is O=C(Nc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(Br)cc12)C1CCNCC1.
What is the InChIKey of N-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide?
The InChIKey is HNWUUPGZUJIEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29BrN4O/c33-27-16-17-29-28(22-27)30(35-31(38)23-18-20-34-21-19-23)36-37(29)32(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-17,22-23,34H,18-21H2,(H,35,36,38).
What are the key properties of N-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide?
N-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide has a molecular weight of 565.52 g/mol, XLogP of 6.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-tritylindazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 169207806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).