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

C20H18ClF3N6O2 — CID 67084993

IUPAC4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-n3ccnc3)cn2c1Cl)N1CCN(C2CCC2)C(=O)C1
InChIInChI=1S/C20H18ClF3N6O2/c21-17-16(19(32)27-6-7-29(15(31)10-27)12-2-1-3-12)26-18-14(20(22,23)24)8-13(9-30(17)18)28-5-4-25-11-28/h4-5,8-9,11-12H,1-3,6-7,10H2
InChIKeyYMWWFZNTRUMKDA-UHFFFAOYSA-N
MW466.85 g/mol
LogP3.03
Rot. Bonds3

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

4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one (PubChem CID 67084993) has the molecular formula C20H18ClF3N6O2 and a molecular weight of 466.85 g/mol. Its IUPAC name is 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one
PubChem CID67084993
Molecular FormulaC20H18ClF3N6O2
Molecular Weight466.85 g/mol
Exact Mass466.11
IUPAC Name4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-n3ccnc3)cn2c1Cl)N1CCN(C2CCC2)C(=O)C1
InChIInChI=1S/C20H18ClF3N6O2/c21-17-16(19(32)27-6-7-29(15(31)10-27)12-2-1-3-12)26-18-14(20(22,23)24)8-13(9-30(17)18)28-5-4-25-11-28/h4-5,8-9,11-12H,1-3,6-7,10H2
InChIKeyYMWWFZNTRUMKDA-UHFFFAOYSA-N
XLogP3.03
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.85
LogP ≤ 53.03
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-cyclobutylpiperazin-2-one?
The IUPAC name of 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one (CID 67084993) is 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-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-cyclobutylpiperazin-2-one?
The canonical SMILES for 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one is O=C(c1nc2c(C(F)(F)F)cc(-n3ccnc3)cn2c1Cl)N1CCN(C2CCC2)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-cyclobutylpiperazin-2-one?
The InChIKey is YMWWFZNTRUMKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N6O2/c21-17-16(19(32)27-6-7-29(15(31)10-27)12-2-1-3-12)26-18-14(20(22,23)24)8-13(9-30(17)18)28-5-4-25-11-28/h4-5,8-9,11-12H,1-3,6-7,10H2.
What are the key properties of 4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one?
4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one has a molecular weight of 466.85 g/mol, XLogP of 3.03, 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-cyclobutylpiperazin-2-one is sourced from PubChem (CID 67084993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).