4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxy-3-pyridinyl)piperazin-2-one

C22H19ClF3N5O3 — CID 67085248

IUPAC4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxy-3-pyridinyl)piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3nc4c(C(F)(F)F)cc(C5CC5)cn4c3Cl)CC2=O)cn1
InChIInChI=1S/C22H19ClF3N5O3/c1-34-16-5-4-14(9-27-16)30-7-6-29(11-17(30)32)21(33)18-19(23)31-10-13(12-2-3-12)8-15(20(31)28-18)22(24,25)26/h4-5,8-10,12H,2-3,6-7,11H2,1H3
InChIKeyFZEGRNCHMBJYCA-UHFFFAOYSA-N
MW493.87 g/mol
LogP3.78
Rot. Bonds4

About 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxy-3-pyridinyl)piperazin-2-one

4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxy-3-pyridinyl)piperazin-2-one (PubChem CID 67085248) has the molecular formula C22H19ClF3N5O3 and a molecular weight of 493.87 g/mol. Its IUPAC name is 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxy-3-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxy-3-pyridinyl)piperazin-2-one
PubChem CID67085248
Molecular FormulaC22H19ClF3N5O3
Molecular Weight493.87 g/mol
Exact Mass493.11
IUPAC Name4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxy-3-pyridinyl)piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3nc4c(C(F)(F)F)cc(C5CC5)cn4c3Cl)CC2=O)cn1
InChIInChI=1S/C22H19ClF3N5O3/c1-34-16-5-4-14(9-27-16)30-7-6-29(11-17(30)32)21(33)18-19(23)31-10-13(12-2-3-12)8-15(20(31)28-18)22(24,25)26/h4-5,8-10,12H,2-3,6-7,11H2,1H3
InChIKeyFZEGRNCHMBJYCA-UHFFFAOYSA-N
XLogP3.78
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.87
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Telacebec
CID 68234908
[4-[[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
CID 129225985
7-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234668
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235029
3-(Cyclopropylmethyl)-8-methoxy-1-[(3-methoxyphenyl)methyl]purino[7,8-a]pyridine-2,4-dione
CID 137635053
1-Benzyl-3-[(4-methoxyphenyl)methyl]purino[7,8-a]pyridine-2,4-dione
CID 11047906
4-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one
CID 51356732
4-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one
CID 51357006
6-chloro-2-ethyl-N-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53466897
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 57774713
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 57774909
6-chloro-2-ethyl-N-[[4-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67403725

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxy-3-pyridinyl)piperazin-2-one?
The IUPAC name of 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxy-3-pyridinyl)piperazin-2-one (CID 67085248) is 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxy-3-pyridinyl)piperazin-2-one.
What is the SMILES notation for 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxy-3-pyridinyl)piperazin-2-one?
The canonical SMILES for 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxy-3-pyridinyl)piperazin-2-one is COc1ccc(N2CCN(C(=O)c3nc4c(C(F)(F)F)cc(C5CC5)cn4c3Cl)CC2=O)cn1.
What is the InChIKey of 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxy-3-pyridinyl)piperazin-2-one?
The InChIKey is FZEGRNCHMBJYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N5O3/c1-34-16-5-4-14(9-27-16)30-7-6-29(11-17(30)32)21(33)18-19(23)31-10-13(12-2-3-12)8-15(20(31)28-18)22(24,25)26/h4-5,8-10,12H,2-3,6-7,11H2,1H3.
What are the key properties of 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxy-3-pyridinyl)piperazin-2-one?
4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxy-3-pyridinyl)piperazin-2-one has a molecular weight of 493.87 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxy-3-pyridinyl)piperazin-2-one is sourced from PubChem (CID 67085248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).