4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide

C19H17BrClFN4O2 — CID 11178839

IUPAC4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cc(Br)cc(Cl)c2F)CC1
InChIInChI=1S/C19H17BrClFN4O2/c20-11-9-13(16(22)14(21)10-11)19(28)5-7-26(8-6-19)18(27)23-17-12-3-1-2-4-15(12)24-25-17/h1-4,9-10,28H,5-8H2,(H2,23,24,25,27)
InChIKeyUQKHELZZKBMNHU-UHFFFAOYSA-N
MW467.73 g/mol
LogP4.63
Rot. Bonds2

About 4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide

4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (PubChem CID 11178839) has the molecular formula C19H17BrClFN4O2 and a molecular weight of 467.73 g/mol. Its IUPAC name is 4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
PubChem CID11178839
Molecular FormulaC19H17BrClFN4O2
Molecular Weight467.73 g/mol
Exact Mass466.02
IUPAC Name4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cc(Br)cc(Cl)c2F)CC1
InChIInChI=1S/C19H17BrClFN4O2/c20-11-9-13(16(22)14(21)10-11)19(28)5-7-26(8-6-19)18(27)23-17-12-3-1-2-4-15(12)24-25-17/h1-4,9-10,28H,5-8H2,(H2,23,24,25,27)
InChIKeyUQKHELZZKBMNHU-UHFFFAOYSA-N
XLogP4.63
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.73
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11155677
4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11177159
4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11201470
4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidinecarboxylic acid (1H-indazol-3-yl)amide
CID 11224422
4-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11234639
4-(3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11257751
4-[2-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11270150
4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11281628
4-(4-chloro-3-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11292190
4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11293114
4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11440654
4-(3,5-difluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11451572

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (CID 11178839) is 4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cc(Br)cc(Cl)c2F)CC1.
What is the InChIKey of 4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The InChIKey is UQKHELZZKBMNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClFN4O2/c20-11-9-13(16(22)14(21)10-11)19(28)5-7-26(8-6-19)18(27)23-17-12-3-1-2-4-15(12)24-25-17/h1-4,9-10,28H,5-8H2,(H2,23,24,25,27).
What are the key properties of 4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide has a molecular weight of 467.73 g/mol, XLogP of 4.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11178839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).