N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide

C22H19F4N5O3 — CID 25166302

IUPACN-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C22H19F4N5O3/c23-13-5-6-16(22(24,25)26)15(11-13)21(34)31-9-7-30(8-10-31)18(32)12-27-20(33)19-14-3-1-2-4-17(14)28-29-19/h1-6,11H,7-10,12H2,(H,27,33)(H,28,29)
InChIKeyLKKGANKUHYJEHA-UHFFFAOYSA-N
MW477.42 g/mol
LogP2.44
Rot. Bonds4

About N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide

N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide (PubChem CID 25166302) has the molecular formula C22H19F4N5O3 and a molecular weight of 477.42 g/mol. Its IUPAC name is N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide
PubChem CID25166302
Molecular FormulaC22H19F4N5O3
Molecular Weight477.42 g/mol
Exact Mass477.14
IUPAC NameN-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C22H19F4N5O3/c23-13-5-6-16(22(24,25)26)15(11-13)21(34)31-9-7-30(8-10-31)18(32)12-27-20(33)19-14-3-1-2-4-17(14)28-29-19/h1-6,11H,7-10,12H2,(H,27,33)(H,28,29)
InChIKeyLKKGANKUHYJEHA-UHFFFAOYSA-N
XLogP2.44
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide (CID 25166302) is N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide is O=C(NCC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide?
The InChIKey is LKKGANKUHYJEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N5O3/c23-13-5-6-16(22(24,25)26)15(11-13)21(34)31-9-7-30(8-10-31)18(32)12-27-20(33)19-14-3-1-2-4-17(14)28-29-19/h1-6,11H,7-10,12H2,(H,27,33)(H,28,29).
What are the key properties of N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide?
N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide has a molecular weight of 477.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 25166302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).