N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

C20H14F3N5O3S — CID 71728172

IUPACN-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1)c1cnc2nccn2c1
InChIInChI=1S/C20H14F3N5O3S/c21-20(22,23)14-2-1-3-16(8-14)32(30,31)17-5-4-15(25-11-17)10-26-18(29)13-9-27-19-24-6-7-28(19)12-13/h1-9,11-12H,10H2,(H,26,29)
InChIKeyJFZZEEPJUMCZFG-UHFFFAOYSA-N
MW461.43 g/mol
LogP2.91
Rot. Bonds5

About N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 71728172) has the molecular formula C20H14F3N5O3S and a molecular weight of 461.43 g/mol. Its IUPAC name is N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID71728172
Molecular FormulaC20H14F3N5O3S
Molecular Weight461.43 g/mol
Exact Mass461.08
IUPAC NameN-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1)c1cnc2nccn2c1
InChIInChI=1S/C20H14F3N5O3S/c21-20(22,23)14-2-1-3-16(8-14)32(30,31)17-5-4-15(25-11-17)10-26-18(29)13-9-27-19-24-6-7-28(19)12-13/h1-9,11-12H,10H2,(H,26,29)
InChIKeyJFZZEEPJUMCZFG-UHFFFAOYSA-N
XLogP2.91
TPSA106.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-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 N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 71728172) is N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1)c1cnc2nccn2c1.
What is the InChIKey of N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is JFZZEEPJUMCZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O3S/c21-20(22,23)14-2-1-3-16(8-14)32(30,31)17-5-4-15(25-11-17)10-26-18(29)13-9-27-19-24-6-7-28(19)12-13/h1-9,11-12H,10H2,(H,26,29).
What are the key properties of N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 461.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71728172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).