3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide

C22H18ClFN4O — CID 42783702

IUPAC3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CC(c1ccccc1F)c1cnc2ccc(Cl)cn12)NCc1cccnc1
InChIInChI=1S/C22H18ClFN4O/c23-16-7-8-21-26-13-20(28(21)14-16)18(17-5-1-2-6-19(17)24)10-22(29)27-12-15-4-3-9-25-11-15/h1-9,11,13-14,18H,10,12H2,(H,27,29)
InChIKeyGJBRWDFALJTDER-UHFFFAOYSA-N
MW408.86 g/mol
LogP4.36
Rot. Bonds6

About 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide

3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 42783702) has the molecular formula C22H18ClFN4O and a molecular weight of 408.86 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID42783702
Molecular FormulaC22H18ClFN4O
Molecular Weight408.86 g/mol
Exact Mass408.12
IUPAC Name3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CC(c1ccccc1F)c1cnc2ccc(Cl)cn12)NCc1cccnc1
InChIInChI=1S/C22H18ClFN4O/c23-16-7-8-21-26-13-20(28(21)14-16)18(17-5-1-2-6-19(17)24)10-22(29)27-12-15-4-3-9-25-11-15/h1-9,11,13-14,18H,10,12H2,(H,27,29)
InChIKeyGJBRWDFALJTDER-UHFFFAOYSA-N
XLogP4.36
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 4611202
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)-N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)propanamide
CID 3570179
1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 4280472
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4571894
3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 45142910
N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 46126228
1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 5081170
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-fluorophenyl)-3-(2-methoxyphenyl)propanamide
CID 4290443
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium
CID 7332222
3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 42879894

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide (CID 42783702) is 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide is O=C(CC(c1ccccc1F)c1cnc2ccc(Cl)cn12)NCc1cccnc1.
What is the InChIKey of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is GJBRWDFALJTDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O/c23-16-7-8-21-26-13-20(28(21)14-16)18(17-5-1-2-6-19(17)24)10-22(29)27-12-15-4-3-9-25-11-15/h1-9,11,13-14,18H,10,12H2,(H,27,29).
What are the key properties of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide?
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 408.86 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 42783702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).