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

C25H19F4N5O2 — CID 118393156

IUPACN-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc(CC(N)=O)cnc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C25H19F4N5O2/c1-34-8-7-20(33-34)16-11-17(19(26)12-18(16)25(27,28)29)24(36)32-21-9-14(10-22(30)35)13-31-23(21)15-5-3-2-4-6-15/h2-9,11-13H,10H2,1H3,(H2,30,35)(H,32,36)
InChIKeyMLXSMHZLUFGLLK-UHFFFAOYSA-N
MW497.45 g/mol
LogP4.59
Rot. Bonds6

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

N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118393156) has the molecular formula C25H19F4N5O2 and a molecular weight of 497.45 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118393156
Molecular FormulaC25H19F4N5O2
Molecular Weight497.45 g/mol
Exact Mass497.15
IUPAC NameN-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc(CC(N)=O)cnc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C25H19F4N5O2/c1-34-8-7-20(33-34)16-11-17(19(26)12-18(16)25(27,28)29)24(36)32-21-9-14(10-22(30)35)13-31-23(21)15-5-3-2-4-6-15/h2-9,11-13H,10H2,1H3,(H2,30,35)(H,32,36)
InChIKeyMLXSMHZLUFGLLK-UHFFFAOYSA-N
XLogP4.59
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.45
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 49837887
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N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 165430631
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US9862707, Example 5
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Csf1R-IN-1
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Bay-588
CID 124203924

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118393156) is N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cc(CC(N)=O)cnc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is MLXSMHZLUFGLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N5O2/c1-34-8-7-20(33-34)16-11-17(19(26)12-18(16)25(27,28)29)24(36)32-21-9-14(10-22(30)35)13-31-23(21)15-5-3-2-4-6-15/h2-9,11-13H,10H2,1H3,(H2,30,35)(H,32,36).
What are the key properties of N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 497.45 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).