5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide

C16H14F3N5O2S — CID 126580938

IUPAC5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCCS(=O)c1ccc(C(=O)NC)nc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C16H14F3N5O2S/c1-3-27(26)11-5-4-9(15(25)20-2)23-14(11)10-7-24-8-21-12(16(17,18)19)6-13(24)22-10/h4-8H,3H2,1-2H3,(H,20,25)
InChIKeyRZWUWQBXEYVTBL-UHFFFAOYSA-N
MW397.38 g/mol
LogP2.30
Rot. Bonds4

About 5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide

5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 126580938) has the molecular formula C16H14F3N5O2S and a molecular weight of 397.38 g/mol. Its IUPAC name is 5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide
PubChem CID126580938
Molecular FormulaC16H14F3N5O2S
Molecular Weight397.38 g/mol
Exact Mass397.08
IUPAC Name5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCCS(=O)c1ccc(C(=O)NC)nc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C16H14F3N5O2S/c1-3-27(26)11-5-4-9(15(25)20-2)23-14(11)10-7-24-8-21-12(16(17,18)19)6-13(24)22-10/h4-8H,3H2,1-2H3,(H,20,25)
InChIKeyRZWUWQBXEYVTBL-UHFFFAOYSA-N
XLogP2.30
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide (CID 126580938) is 5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide is CCS(=O)c1ccc(C(=O)NC)nc1-c1cn2cnc(C(F)(F)F)cc2n1.
What is the InChIKey of 5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide?
The InChIKey is RZWUWQBXEYVTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2S/c1-3-27(26)11-5-4-9(15(25)20-2)23-14(11)10-7-24-8-21-12(16(17,18)19)6-13(24)22-10/h4-8H,3H2,1-2H3,(H,20,25).
What are the key properties of 5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide?
5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 397.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfinyl-N-methyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 126580938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).