N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide

C23H18F3N3O2 — CID 136575534

IUPACN-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide
SMILESO=C(CCOc1cccc(F)c1)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12
InChIInChI=1S/C23H18F3N3O2/c24-16-6-4-15(5-7-16)23-20(29-14-18(26)8-9-21(29)28-23)13-27-22(30)10-11-31-19-3-1-2-17(25)12-19/h1-9,12,14H,10-11,13H2,(H,27,30)
InChIKeyOECCPMAVRZSLBM-UHFFFAOYSA-N
MW425.41 g/mol
LogP4.50
Rot. Bonds7

About N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide

N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide (PubChem CID 136575534) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide
PubChem CID136575534
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC NameN-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide
SMILESO=C(CCOc1cccc(F)c1)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12
InChIInChI=1S/C23H18F3N3O2/c24-16-6-4-15(5-7-16)23-20(29-14-18(26)8-9-21(29)28-23)13-27-22(30)10-11-31-19-3-1-2-17(25)12-19/h1-9,12,14H,10-11,13H2,(H,27,30)
InChIKeyOECCPMAVRZSLBM-UHFFFAOYSA-N
XLogP4.50
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide
CID 136575533
2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide
CID 146109431
3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167434
3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide
CID 115746113
N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118564
[4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 83282490
N-benzyl-3-(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 91634258
3-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-hydroxy-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 44539340
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
N-(4-fluorophenyl)-3-[6-(3-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 83288500
N-[[4-(dimethylamino)phenyl]methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118570
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 53036623

Frequently Asked Questions

What is the IUPAC name of N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide?
The IUPAC name of N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide (CID 136575534) is N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide is O=C(CCOc1cccc(F)c1)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12.
What is the InChIKey of N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide?
The InChIKey is OECCPMAVRZSLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c24-16-6-4-15(5-7-16)23-20(29-14-18(26)8-9-21(29)28-23)13-27-22(30)10-11-31-19-3-1-2-17(25)12-19/h1-9,12,14H,10-11,13H2,(H,27,30).
What are the key properties of N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide?
N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide has a molecular weight of 425.41 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 136575534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).