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

C20H14F3N5O4S — CID 118193527

IUPACN-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cn1)c1cnc2nccn2c1
InChIInChI=1S/C20H14F3N5O4S/c21-20(22,23)32-15-2-1-3-16(8-15)33(30,31)17-5-4-14(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)
InChIKeyZCQMLFVDFRBLRT-UHFFFAOYSA-N
MW477.42 g/mol
LogP2.79
Rot. Bonds6

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

N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 118193527) has the molecular formula C20H14F3N5O4S and a molecular weight of 477.42 g/mol. Its IUPAC name is N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID118193527
Molecular FormulaC20H14F3N5O4S
Molecular Weight477.42 g/mol
Exact Mass477.07
IUPAC NameN-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cn1)c1cnc2nccn2c1
InChIInChI=1S/C20H14F3N5O4S/c21-20(22,23)32-15-2-1-3-16(8-15)33(30,31)17-5-4-14(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)
InChIKeyZCQMLFVDFRBLRT-UHFFFAOYSA-N
XLogP2.79
TPSA115.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 118193527) is N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cn1)c1cnc2nccn2c1.
What is the InChIKey of N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is ZCQMLFVDFRBLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O4S/c21-20(22,23)32-15-2-1-3-16(8-15)33(30,31)17-5-4-14(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-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 477.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(trifluoromethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 118193527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).