2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide

C15H14ClF3N4O2 — CID 56752168

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cnc2n1CCCC2
InChIInChI=1S/C15H14ClF3N4O2/c16-10-5-9(15(17,18)19)7-22(14(10)25)8-13(24)21-12-6-20-11-3-1-2-4-23(11)12/h5-7H,1-4,8H2,(H,21,24)
InChIKeySNWKKXJINPSKIN-UHFFFAOYSA-N
MW374.75 g/mol
LogP2.69
Rot. Bonds3

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 56752168) has the molecular formula C15H14ClF3N4O2 and a molecular weight of 374.75 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID56752168
Molecular FormulaC15H14ClF3N4O2
Molecular Weight374.75 g/mol
Exact Mass374.08
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cnc2n1CCCC2
InChIInChI=1S/C15H14ClF3N4O2/c16-10-5-9(15(17,18)19)7-22(14(10)25)8-13(24)21-12-6-20-11-3-1-2-4-23(11)12/h5-7H,1-4,8H2,(H,21,24)
InChIKeySNWKKXJINPSKIN-UHFFFAOYSA-N
XLogP2.69
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide (CID 56752168) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cnc2n1CCCC2.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is SNWKKXJINPSKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O2/c16-10-5-9(15(17,18)19)7-22(14(10)25)8-13(24)21-12-6-20-11-3-1-2-4-23(11)12/h5-7H,1-4,8H2,(H,21,24).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 374.75 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 56752168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).