N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxamide

C25H21F4N7O3 — CID 59376257

IUPACN-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)c1cn2cc(-n3cccn3)ccc2n1
InChIInChI=1S/C25H21F4N7O3/c26-16-2-4-19(25(27,28)29)18(12-16)24(39)34-10-8-33(9-11-34)22(37)13-30-23(38)20-15-35-14-17(3-5-21(35)32-20)36-7-1-6-31-36/h1-7,12,14-15H,8-11,13H2,(H,30,38)
InChIKeyLDDOCARVTSXMIO-UHFFFAOYSA-N
MW543.48 g/mol
LogP2.39
Rot. Bonds5

About N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxamide

N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 59376257) has the molecular formula C25H21F4N7O3 and a molecular weight of 543.48 g/mol. Its IUPAC name is N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID59376257
Molecular FormulaC25H21F4N7O3
Molecular Weight543.48 g/mol
Exact Mass543.16
IUPAC NameN-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)c1cn2cc(-n3cccn3)ccc2n1
InChIInChI=1S/C25H21F4N7O3/c26-16-2-4-19(25(27,28)29)18(12-16)24(39)34-10-8-33(9-11-34)22(37)13-30-23(38)20-15-35-14-17(3-5-21(35)32-20)36-7-1-6-31-36/h1-7,12,14-15H,8-11,13H2,(H,30,38)
InChIKeyLDDOCARVTSXMIO-UHFFFAOYSA-N
XLogP2.39
TPSA104.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxamide (CID 59376257) is N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxamide is O=C(NCC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)c1cn2cc(-n3cccn3)ccc2n1.
What is the InChIKey of N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is LDDOCARVTSXMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N7O3/c26-16-2-4-19(25(27,28)29)18(12-16)24(39)34-10-8-33(9-11-34)22(37)13-30-23(38)20-15-35-14-17(3-5-21(35)32-20)36-7-1-6-31-36/h1-7,12,14-15H,8-11,13H2,(H,30,38).
What are the key properties of N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxamide?
N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 543.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]-6-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 59376257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).