1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C25H21Cl2F5N4O2 — CID 175990422

IUPAC1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1nc(-c2c(C(F)(F)F)ccc(CNC(=O)C3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2F)[nH]c(=O)c1F
InChIInChI=1S/C25H21Cl2F5N4O2/c1-12-20(28)24(38)35-22(34-12)19-16(25(30,31)32)4-2-14(21(19)29)11-33-23(37)13-6-8-36(9-7-13)15-3-5-17(26)18(27)10-15/h2-5,10,13H,6-9,11H2,1H3,(H,33,37)(H,34,35,38)
InChIKeyOZMJYGZNHSPJDZ-UHFFFAOYSA-N
MW575.37 g/mol
LogP5.88
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 175990422) has the molecular formula C25H21Cl2F5N4O2 and a molecular weight of 575.37 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID175990422
Molecular FormulaC25H21Cl2F5N4O2
Molecular Weight575.37 g/mol
Exact Mass574.10
IUPAC Name1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1nc(-c2c(C(F)(F)F)ccc(CNC(=O)C3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2F)[nH]c(=O)c1F
InChIInChI=1S/C25H21Cl2F5N4O2/c1-12-20(28)24(38)35-22(34-12)19-16(25(30,31)32)4-2-14(21(19)29)11-33-23(37)13-6-8-36(9-7-13)15-3-5-17(26)18(27)10-15/h2-5,10,13H,6-9,11H2,1H3,(H,33,37)(H,34,35,38)
InChIKeyOZMJYGZNHSPJDZ-UHFFFAOYSA-N
XLogP5.88
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.37
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide 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 1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 175990422) is 1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is Cc1nc(-c2c(C(F)(F)F)ccc(CNC(=O)C3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2F)[nH]c(=O)c1F.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is OZMJYGZNHSPJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2F5N4O2/c1-12-20(28)24(38)35-22(34-12)19-16(25(30,31)32)4-2-14(21(19)29)11-33-23(37)13-6-8-36(9-7-13)15-3-5-17(26)18(27)10-15/h2-5,10,13H,6-9,11H2,1H3,(H,33,37)(H,34,35,38).
What are the key properties of 1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 575.37 g/mol, XLogP of 5.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 175990422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).