3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide

C24H23FN4O — CID 174235367

IUPAC3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCc1nc2ccncc2n1Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H23FN4O/c1-17(19-5-3-2-4-6-19)27-24(30)12-11-23-28-21-13-14-26-15-22(21)29(23)16-18-7-9-20(25)10-8-18/h2-10,13-15,17H,11-12,16H2,1H3,(H,27,30)
InChIKeyBYEDAFBLZNMDBI-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.43
Rot. Bonds7

About 3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide

3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide (PubChem CID 174235367) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide
PubChem CID174235367
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCc1nc2ccncc2n1Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H23FN4O/c1-17(19-5-3-2-4-6-19)27-24(30)12-11-23-28-21-13-14-26-15-22(21)29(23)16-18-7-9-20(25)10-8-18/h2-10,13-15,17H,11-12,16H2,1H3,(H,27,30)
InChIKeyBYEDAFBLZNMDBI-UHFFFAOYSA-N
XLogP4.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-phenylmethoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445615
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445752
N-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide
CID 174235355
3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 122445690
N-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 145133130
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 976977
N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970622
4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide
CID 92865745
3-[3-[(4-bromophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide
CID 174235379
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
CID 3943943
1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide
CID 95073144

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide (CID 174235367) is 3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide is CC(NC(=O)CCc1nc2ccncc2n1Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide?
The InChIKey is BYEDAFBLZNMDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-17(19-5-3-2-4-6-19)27-24(30)12-11-23-28-21-13-14-26-15-22(21)29(23)16-18-7-9-20(25)10-8-18/h2-10,13-15,17H,11-12,16H2,1H3,(H,27,30).
What are the key properties of 3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide?
3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide has a molecular weight of 402.47 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 174235367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).