1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one

C24H22ClN3O2 — CID 152815930

IUPAC1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)CCc1ccc(-c2ccc(OC)cn2)cc1
InChIInChI=1S/C24H22ClN3O2/c1-3-20-24(28-13-12-18(25)14-23(28)27-20)22(29)11-6-16-4-7-17(8-5-16)21-10-9-19(30-2)15-26-21/h4-5,7-10,12-15H,3,6,11H2,1-2H3
InChIKeySSJKRFHKEBVDBR-UHFFFAOYSA-N
MW419.91 g/mol
LogP5.44
Rot. Bonds7

About 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one

1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one (PubChem CID 152815930) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one
PubChem CID152815930
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)CCc1ccc(-c2ccc(OC)cn2)cc1
InChIInChI=1S/C24H22ClN3O2/c1-3-20-24(28-13-12-18(25)14-23(28)27-20)22(29)11-6-16-4-7-17(8-5-16)21-10-9-19(30-2)15-26-21/h4-5,7-10,12-15H,3,6,11H2,1-2H3
InChIKeySSJKRFHKEBVDBR-UHFFFAOYSA-N
XLogP5.44
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyridin-4-ylphenyl)propan-1-one
CID 148563488
1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 161228612
1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one
CID 147134595
1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(4-phenylphenyl)propan-1-one
CID 162083240
2-ethyl-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid
CID 83690690
1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]propan-1-one
CID 146720171
(2-ethyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-(4-methoxyphenyl)methanone
CID 134535449
1-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one
CID 146736045
2-(4-methoxyphenyl)-5-propylpyridine
CID 54073906
5-(chloromethyl)-2-(4-methoxyphenyl)pyridine
CID 2763864
1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenyl]propan-1-one
CID 118944760
7-chloro-3-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256543

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one?
The IUPAC name of 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one (CID 152815930) is 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one.
What is the SMILES notation for 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one?
The canonical SMILES for 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one is CCc1nc2cc(Cl)ccn2c1C(=O)CCc1ccc(-c2ccc(OC)cn2)cc1.
What is the InChIKey of 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one?
The InChIKey is SSJKRFHKEBVDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-3-20-24(28-13-12-18(25)14-23(28)27-20)22(29)11-6-16-4-7-17(8-5-16)21-10-9-19(30-2)15-26-21/h4-5,7-10,12-15H,3,6,11H2,1-2H3.
What are the key properties of 1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one?
1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one has a molecular weight of 419.91 g/mol, XLogP of 5.44, 7 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-(5-methoxy-2-pyridinyl)phenyl]propan-1-one is sourced from PubChem (CID 152815930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).