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

C23H23ClF3N3O3 — CID 71009899

IUPAC(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)N1CCCC(OCc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C23H23ClF3N3O3/c1-2-19-21(30-12-16(24)7-10-20(30)28-19)22(31)29-11-3-4-18(13-29)32-14-15-5-8-17(9-6-15)33-23(25,26)27/h5-10,12,18H,2-4,11,13-14H2,1H3
InChIKeyICWBGTCXEOJVLZ-UHFFFAOYSA-N
MW481.90 g/mol
LogP5.27
Rot. Bonds6

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

(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone (PubChem CID 71009899) has the molecular formula C23H23ClF3N3O3 and a molecular weight of 481.90 g/mol. Its IUPAC name is (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
PubChem CID71009899
Molecular FormulaC23H23ClF3N3O3
Molecular Weight481.90 g/mol
Exact Mass481.14
IUPAC Name(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)N1CCCC(OCc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C23H23ClF3N3O3/c1-2-19-21(30-12-16(24)7-10-20(30)28-19)22(31)29-11-3-4-18(13-29)32-14-15-5-8-17(9-6-15)33-23(25,26)27/h5-10,12,18H,2-4,11,13-14H2,1H3
InChIKeyICWBGTCXEOJVLZ-UHFFFAOYSA-N
XLogP5.27
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.90
LogP ≤ 55.27
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)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone?
The IUPAC name of (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone (CID 71009899) is (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone is CCc1nc2ccc(Cl)cn2c1C(=O)N1CCCC(OCc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone?
The InChIKey is ICWBGTCXEOJVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N3O3/c1-2-19-21(30-12-16(24)7-10-20(30)28-19)22(31)29-11-3-4-18(13-29)32-14-15-5-8-17(9-6-15)33-23(25,26)27/h5-10,12,18H,2-4,11,13-14H2,1H3.
What are the key properties of (6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone?
(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone has a molecular weight of 481.90 g/mol, XLogP of 5.27, 6 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)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 71009899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).