1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one

C22H24ClN3O2 — CID 147134595

IUPAC1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)CCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H24ClN3O2/c1-2-19-22(26-10-9-17(23)15-21(26)24-19)20(27)8-5-16-3-6-18(7-4-16)25-11-13-28-14-12-25/h3-4,6-7,9-10,15H,2,5,8,11-14H2,1H3
InChIKeyBQXHDALAAFETRO-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.20
Rot. Bonds6

About 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one

1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one (PubChem CID 147134595) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one
PubChem CID147134595
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)CCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H24ClN3O2/c1-2-19-22(26-10-9-17(23)15-21(26)24-19)20(27)8-5-16-3-6-18(7-4-16)25-11-13-28-14-12-25/h3-4,6-7,9-10,15H,2,5,8,11-14H2,1H3
InChIKeyBQXHDALAAFETRO-UHFFFAOYSA-N
XLogP4.20
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one?
The IUPAC name of 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one (CID 147134595) is 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one.
What is the SMILES notation for 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one?
The canonical SMILES for 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one is CCc1nc2cc(Cl)ccn2c1C(=O)CCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one?
The InChIKey is BQXHDALAAFETRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-2-19-22(26-10-9-17(23)15-21(26)24-19)20(27)8-5-16-3-6-18(7-4-16)25-11-13-28-14-12-25/h3-4,6-7,9-10,15H,2,5,8,11-14H2,1H3.
What are the key properties of 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one?
1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one has a molecular weight of 397.91 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one is sourced from PubChem (CID 147134595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).