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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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).