(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone

C22H21ClF3N3O3 — CID 70980832

IUPAC(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C22H21ClF3N3O3/c1-2-18-20(29-13-14(23)3-8-19(29)27-18)21(30)28-11-9-16(10-12-28)31-15-4-6-17(7-5-15)32-22(24,25)26/h3-8,13,16H,2,9-12H2,1H3
InChIKeyXCBNESVZDAANBD-UHFFFAOYSA-N
MW467.88 g/mol
LogP5.13
Rot. Bonds5

About (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone

(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone (PubChem CID 70980832) has the molecular formula C22H21ClF3N3O3 and a molecular weight of 467.88 g/mol. Its IUPAC name is (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
PubChem CID70980832
Molecular FormulaC22H21ClF3N3O3
Molecular Weight467.88 g/mol
Exact Mass467.12
IUPAC Name(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C22H21ClF3N3O3/c1-2-18-20(29-13-14(23)3-8-19(29)27-18)21(30)28-11-9-16(10-12-28)31-15-4-6-17(7-5-15)32-22(24,25)26/h3-8,13,16H,2,9-12H2,1H3
InChIKeyXCBNESVZDAANBD-UHFFFAOYSA-N
XLogP5.13
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.88
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone (CID 70980832) is (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone is CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The InChIKey is XCBNESVZDAANBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N3O3/c1-2-18-20(29-13-14(23)3-8-19(29)27-18)21(30)28-11-9-16(10-12-28)31-15-4-6-17(7-5-15)32-22(24,25)26/h3-8,13,16H,2,9-12H2,1H3.
What are the key properties of (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone has a molecular weight of 467.88 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 70980832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).