4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide

C20H18F4N4O2 — CID 11293114

IUPAC4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H18F4N4O2/c21-15-6-5-12(11-14(15)20(22,23)24)19(30)7-9-28(10-8-19)18(29)25-17-13-3-1-2-4-16(13)26-27-17/h1-6,11,30H,7-10H2,(H2,25,26,27,29)
InChIKeyGQLMSIYYCVLCQA-UHFFFAOYSA-N
MW422.38 g/mol
LogP4.24
Rot. Bonds2

About 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide

4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (PubChem CID 11293114) has the molecular formula C20H18F4N4O2 and a molecular weight of 422.38 g/mol. Its IUPAC name is 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
PubChem CID11293114
Molecular FormulaC20H18F4N4O2
Molecular Weight422.38 g/mol
Exact Mass422.14
IUPAC Name4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H18F4N4O2/c21-15-6-5-12(11-14(15)20(22,23)24)19(30)7-9-28(10-8-19)18(29)25-17-13-3-1-2-4-16(13)26-27-17/h1-6,11,30H,7-10H2,(H2,25,26,27,29)
InChIKeyGQLMSIYYCVLCQA-UHFFFAOYSA-N
XLogP4.24
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-[2-fluoro-5-(hydroxymethyl)phenyl]urea
CID 49830670
Piperidine-1-carboxylic acid (6,7-difluoro-5-phenyl-1H-indazol-3-yl)amide
CID 9841627
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-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11177431
4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11178839
4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11201470
4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide
CID 11222041
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-(2,3-difluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 11256735
4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 11256736

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (CID 11293114) is 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The InChIKey is GQLMSIYYCVLCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O2/c21-15-6-5-12(11-14(15)20(22,23)24)19(30)7-9-28(10-8-19)18(29)25-17-13-3-1-2-4-16(13)26-27-17/h1-6,11,30H,7-10H2,(H2,25,26,27,29).
What are the key properties of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide has a molecular weight of 422.38 g/mol, XLogP of 4.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11293114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).