4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclopentylpiperazin-2-one

C21H20ClF3N6O2 — CID 51355354

IUPAC4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclopentylpiperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-n3ccnc3)cn2c1Cl)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C21H20ClF3N6O2/c22-18-17(20(33)28-7-8-30(16(32)11-28)13-3-1-2-4-13)27-19-15(21(23,24)25)9-14(10-31(18)19)29-6-5-26-12-29/h5-6,9-10,12-13H,1-4,7-8,11H2
InChIKeyUHZNHCCWTJEVSK-UHFFFAOYSA-N
MW480.88 g/mol
LogP3.42
Rot. Bonds3

About 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclopentylpiperazin-2-one

4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclopentylpiperazin-2-one (PubChem CID 51355354) has the molecular formula C21H20ClF3N6O2 and a molecular weight of 480.88 g/mol. Its IUPAC name is 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclopentylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclopentylpiperazin-2-one
PubChem CID51355354
Molecular FormulaC21H20ClF3N6O2
Molecular Weight480.88 g/mol
Exact Mass480.13
IUPAC Name4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclopentylpiperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-n3ccnc3)cn2c1Cl)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C21H20ClF3N6O2/c22-18-17(20(33)28-7-8-30(16(32)11-28)13-3-1-2-4-13)27-19-15(21(23,24)25)9-14(10-31(18)19)29-6-5-26-12-29/h5-6,9-10,12-13H,1-4,7-8,11H2
InChIKeyUHZNHCCWTJEVSK-UHFFFAOYSA-N
XLogP3.42
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.88
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclopentylpiperazin-2-one?
The IUPAC name of 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclopentylpiperazin-2-one (CID 51355354) is 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclopentylpiperazin-2-one.
What is the SMILES notation for 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclopentylpiperazin-2-one?
The canonical SMILES for 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclopentylpiperazin-2-one is O=C(c1nc2c(C(F)(F)F)cc(-n3ccnc3)cn2c1Cl)N1CCN(C2CCCC2)C(=O)C1.
What is the InChIKey of 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclopentylpiperazin-2-one?
The InChIKey is UHZNHCCWTJEVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N6O2/c22-18-17(20(33)28-7-8-30(16(32)11-28)13-3-1-2-4-13)27-19-15(21(23,24)25)9-14(10-31(18)19)29-6-5-26-12-29/h5-6,9-10,12-13H,1-4,7-8,11H2.
What are the key properties of 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclopentylpiperazin-2-one?
4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclopentylpiperazin-2-one has a molecular weight of 480.88 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclopentylpiperazin-2-one is sourced from PubChem (CID 51355354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).