2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide

C28H24F4N6O2 — CID 118393540

IUPAC2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cnc(CN4CCCCC4=O)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C28H24F4N6O2/c1-37-12-10-22(36-37)18-13-19(21(29)14-20(18)28(30,31)32)27(40)34-23-15-33-24(16-38-11-6-5-9-25(38)39)35-26(23)17-7-3-2-4-8-17/h2-4,7-8,10,12-15H,5-6,9,11,16H2,1H3,(H,34,40)
InChIKeyWSEWGTPRJVCSCN-UHFFFAOYSA-N
MW552.53 g/mol
LogP5.47
Rot. Bonds6

About 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide

2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide (PubChem CID 118393540) has the molecular formula C28H24F4N6O2 and a molecular weight of 552.53 g/mol. Its IUPAC name is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide
PubChem CID118393540
Molecular FormulaC28H24F4N6O2
Molecular Weight552.53 g/mol
Exact Mass552.19
IUPAC Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cnc(CN4CCCCC4=O)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C28H24F4N6O2/c1-37-12-10-22(36-37)18-13-19(21(29)14-20(18)28(30,31)32)27(40)34-23-15-33-24(16-38-11-6-5-9-25(38)39)35-26(23)17-7-3-2-4-8-17/h2-4,7-8,10,12-15H,5-6,9,11,16H2,1H3,(H,34,40)
InChIKeyWSEWGTPRJVCSCN-UHFFFAOYSA-N
XLogP5.47
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.53
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide (CID 118393540) is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cnc(CN4CCCCC4=O)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is WSEWGTPRJVCSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F4N6O2/c1-37-12-10-22(36-37)18-13-19(21(29)14-20(18)28(30,31)32)27(40)34-23-15-33-24(16-38-11-6-5-9-25(38)39)35-26(23)17-7-3-2-4-8-17/h2-4,7-8,10,12-15H,5-6,9,11,16H2,1H3,(H,34,40).
What are the key properties of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 552.53 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxopiperidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).