2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium

C21H26ClN4O2+ — CID 7332222

IUPAC2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium
SMILESCOc1ccccc1[C@H](CC(=O)NCC[NH+](C)C)c1cnc2ccc(Cl)cn12
InChIInChI=1S/C21H25ClN4O2/c1-25(2)11-10-23-21(27)12-17(16-6-4-5-7-19(16)28-3)18-13-24-20-9-8-15(22)14-26(18)20/h4-9,13-14,17H,10-12H2,1-3H3,(H,23,27)/p+1/t17-/m0/s1
InChIKeyOAWXHKMFSAFPPQ-KRWDZBQOSA-O
MW401.92 g/mol
LogP1.78
Rot. Bonds8

About 2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium

2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium (PubChem CID 7332222) has the molecular formula C21H26ClN4O2+ and a molecular weight of 401.92 g/mol. Its IUPAC name is 2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium
PubChem CID7332222
Molecular FormulaC21H26ClN4O2+
Molecular Weight401.92 g/mol
Exact Mass401.17
IUPAC Name2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium
SMILESCOc1ccccc1[C@H](CC(=O)NCC[NH+](C)C)c1cnc2ccc(Cl)cn12
InChIInChI=1S/C21H25ClN4O2/c1-25(2)11-10-23-21(27)12-17(16-6-4-5-7-19(16)28-3)18-13-24-20-9-8-15(22)14-26(18)20/h4-9,13-14,17H,10-12H2,1-3H3,(H,23,27)/p+1/t17-/m0/s1
InChIKeyOAWXHKMFSAFPPQ-KRWDZBQOSA-O
XLogP1.78
TPSA60.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide
CID 7218359
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-fluorophenyl)-3-(2-methoxyphenyl)propanamide
CID 4290443
3-imidazo[1,2-a]pyridin-3-yl-3-(2-methoxyphenyl)-N-(2-phenylethyl)propanamide
CID 42782038
2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium
CID 7301673
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one
CID 4191341
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)propanamide
CID 3570179
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 3378409
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42783702
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 4611202
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
CID 42782043
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 42783669
(3R)-N-(2-fluorophenyl)-3-(2-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 7332181

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium?
The IUPAC name of 2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium (CID 7332222) is 2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium is COc1ccccc1[C@H](CC(=O)NCC[NH+](C)C)c1cnc2ccc(Cl)cn12.
What is the InChIKey of 2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium?
The InChIKey is OAWXHKMFSAFPPQ-KRWDZBQOSA-O. The full InChI is InChI=1S/C21H25ClN4O2/c1-25(2)11-10-23-21(27)12-17(16-6-4-5-7-19(16)28-3)18-13-24-20-9-8-15(22)14-26(18)20/h4-9,13-14,17H,10-12H2,1-3H3,(H,23,27)/p+1/t17-/m0/s1.
What are the key properties of 2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium?
2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium has a molecular weight of 401.92 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 7332222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).