2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile

C23H17ClF3N5O2 — CID 67084830

IUPAC2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(C(=O)c2nc3c(C(F)(F)F)cc(C4CC4)cn3c2Cl)CC1=O
InChIInChI=1S/C23H17ClF3N5O2/c24-20-19(29-21-16(23(25,26)27)9-15(11-32(20)21)13-5-6-13)22(34)30-7-8-31(18(33)12-30)17-4-2-1-3-14(17)10-28/h1-4,9,11,13H,5-8,12H2
InChIKeyVXPATPYZMLFCLJ-UHFFFAOYSA-N
MW487.87 g/mol
LogP4.24
Rot. Bonds3

About 2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile

2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile (PubChem CID 67084830) has the molecular formula C23H17ClF3N5O2 and a molecular weight of 487.87 g/mol. Its IUPAC name is 2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile
PubChem CID67084830
Molecular FormulaC23H17ClF3N5O2
Molecular Weight487.87 g/mol
Exact Mass487.10
IUPAC Name2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(C(=O)c2nc3c(C(F)(F)F)cc(C4CC4)cn3c2Cl)CC1=O
InChIInChI=1S/C23H17ClF3N5O2/c24-20-19(29-21-16(23(25,26)27)9-15(11-32(20)21)13-5-6-13)22(34)30-7-8-31(18(33)12-30)17-4-2-1-3-14(17)10-28/h1-4,9,11,13H,5-8,12H2
InChIKeyVXPATPYZMLFCLJ-UHFFFAOYSA-N
XLogP4.24
TPSA81.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.87
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile?
The IUPAC name of 2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile (CID 67084830) is 2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile is N#Cc1ccccc1N1CCN(C(=O)c2nc3c(C(F)(F)F)cc(C4CC4)cn3c2Cl)CC1=O.
What is the InChIKey of 2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile?
The InChIKey is VXPATPYZMLFCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N5O2/c24-20-19(29-21-16(23(25,26)27)9-15(11-32(20)21)13-5-6-13)22(34)30-7-8-31(18(33)12-30)17-4-2-1-3-14(17)10-28/h1-4,9,11,13H,5-8,12H2.
What are the key properties of 2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile?
2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile has a molecular weight of 487.87 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile is sourced from PubChem (CID 67084830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).