4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-oxoethyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide

C18H17ClF6N4O2 — CID 139528504

IUPAC4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-oxoethyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide
SMILESO=C(NCCC(F)(F)F)N1CCC(C(F)(F)C(=O)c2c(F)c(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C18H17ClF6N4O2/c19-11-7-9-8-27-28-14(9)12(13(11)20)15(30)18(24,25)10-1-5-29(6-2-10)16(31)26-4-3-17(21,22)23/h7-8,10H,1-6H2,(H,26,31)(H,27,28)
InChIKeyKJZKDAMLWYYBBC-UHFFFAOYSA-N
MW470.80 g/mol
LogP4.55
Rot. Bonds5

About 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-oxoethyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide

4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-oxoethyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide (PubChem CID 139528504) has the molecular formula C18H17ClF6N4O2 and a molecular weight of 470.80 g/mol. Its IUPAC name is 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-oxoethyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-oxoethyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide
PubChem CID139528504
Molecular FormulaC18H17ClF6N4O2
Molecular Weight470.80 g/mol
Exact Mass470.09
IUPAC Name4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-oxoethyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide
SMILESO=C(NCCC(F)(F)F)N1CCC(C(F)(F)C(=O)c2c(F)c(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C18H17ClF6N4O2/c19-11-7-9-8-27-28-14(9)12(13(11)20)15(30)18(24,25)10-1-5-29(6-2-10)16(31)26-4-3-17(21,22)23/h7-8,10H,1-6H2,(H,26,31)(H,27,28)
InChIKeyKJZKDAMLWYYBBC-UHFFFAOYSA-N
XLogP4.55
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.80
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2,2-difluoro-2-[1-(2-methoxyacetyl)piperidin-4-yl]ethanone
CID 139528480
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 134373824
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(oxan-4-ylmethyl)piperidine-1-carboxamide
CID 134373412
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide
CID 158573725
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(cyanomethyl)piperidine-1-carboxamide
CID 142311847
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-carboxamide
CID 139528414
4-[hydroxy(phenyl)methyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide
CID 111483064
1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63227780
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(6-ethynyl-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 161429067
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide
CID 134373675
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 134373872
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide
CID 160964187

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-oxoethyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-oxoethyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide (CID 139528504) is 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-oxoethyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-oxoethyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-oxoethyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide is O=C(NCCC(F)(F)F)N1CCC(C(F)(F)C(=O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.
What is the InChIKey of 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-oxoethyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide?
The InChIKey is KJZKDAMLWYYBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF6N4O2/c19-11-7-9-8-27-28-14(9)12(13(11)20)15(30)18(24,25)10-1-5-29(6-2-10)16(31)26-4-3-17(21,22)23/h7-8,10H,1-6H2,(H,26,31)(H,27,28).
What are the key properties of 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-oxoethyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide?
4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-oxoethyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide has a molecular weight of 470.80 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-oxoethyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide is sourced from PubChem (CID 139528504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).