2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide

C26H20F4N6O2 — CID 118393347

IUPAC2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3ccc(C4CNC(=O)N4)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C26H20F4N6O2/c1-36-10-9-19(35-36)15-11-16(18(27)12-17(15)26(28,29)30)24(37)33-21-8-7-20(22-13-31-25(38)34-22)32-23(21)14-5-3-2-4-6-14/h2-12,22H,13H2,1H3,(H,33,37)(H2,31,34,38)
InChIKeySMDWNHWRCPRZBQ-UHFFFAOYSA-N
MW524.48 g/mol
LogP4.91
Rot. Bonds5

About 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide

2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide (PubChem CID 118393347) has the molecular formula C26H20F4N6O2 and a molecular weight of 524.48 g/mol. Its IUPAC name is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide
PubChem CID118393347
Molecular FormulaC26H20F4N6O2
Molecular Weight524.48 g/mol
Exact Mass524.16
IUPAC Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3ccc(C4CNC(=O)N4)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C26H20F4N6O2/c1-36-10-9-19(35-36)15-11-16(18(27)12-17(15)26(28,29)30)24(37)33-21-8-7-20(22-13-31-25(38)34-22)32-23(21)14-5-3-2-4-6-14/h2-12,22H,13H2,1H3,(H,33,37)(H2,31,34,38)
InChIKeySMDWNHWRCPRZBQ-UHFFFAOYSA-N
XLogP4.91
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.48
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide (CID 118393347) is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3ccc(C4CNC(=O)N4)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The InChIKey is SMDWNHWRCPRZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N6O2/c1-36-10-9-19(35-36)15-11-16(18(27)12-17(15)26(28,29)30)24(37)33-21-8-7-20(22-13-31-25(38)34-22)32-23(21)14-5-3-2-4-6-14/h2-12,22H,13H2,1H3,(H,33,37)(H2,31,34,38).
What are the key properties of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide has a molecular weight of 524.48 g/mol, XLogP of 4.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).