4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one

C19H20ClF3N4O2 — CID 67084971

IUPAC4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one
SMILESO=C1CN(CCCC(=O)c2nc3c(C(F)(F)F)cc(C4CC4)cn3c2Cl)CCN1
InChIInChI=1S/C19H20ClF3N4O2/c20-17-16(14(28)2-1-6-26-7-5-24-15(29)10-26)25-18-13(19(21,22)23)8-12(9-27(17)18)11-3-4-11/h8-9,11H,1-7,10H2,(H,24,29)
InChIKeyVSSGPQAPDKXGIK-UHFFFAOYSA-N
MW428.84 g/mol
LogP3.28
Rot. Bonds6

About 4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one

4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one (PubChem CID 67084971) has the molecular formula C19H20ClF3N4O2 and a molecular weight of 428.84 g/mol. Its IUPAC name is 4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one
PubChem CID67084971
Molecular FormulaC19H20ClF3N4O2
Molecular Weight428.84 g/mol
Exact Mass428.12
IUPAC Name4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one
SMILESO=C1CN(CCCC(=O)c2nc3c(C(F)(F)F)cc(C4CC4)cn3c2Cl)CCN1
InChIInChI=1S/C19H20ClF3N4O2/c20-17-16(14(28)2-1-6-26-7-5-24-15(29)10-26)25-18-13(19(21,22)23)8-12(9-27(17)18)11-3-4-11/h8-9,11H,1-7,10H2,(H,24,29)
InChIKeyVSSGPQAPDKXGIK-UHFFFAOYSA-N
XLogP3.28
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one?
The IUPAC name of 4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one (CID 67084971) is 4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one.
What is the SMILES notation for 4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one?
The canonical SMILES for 4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one is O=C1CN(CCCC(=O)c2nc3c(C(F)(F)F)cc(C4CC4)cn3c2Cl)CCN1.
What is the InChIKey of 4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one?
The InChIKey is VSSGPQAPDKXGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N4O2/c20-17-16(14(28)2-1-6-26-7-5-24-15(29)10-26)25-18-13(19(21,22)23)8-12(9-27(17)18)11-3-4-11/h8-9,11H,1-7,10H2,(H,24,29).
What are the key properties of 4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one?
4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one has a molecular weight of 428.84 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one is sourced from PubChem (CID 67084971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).