4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine

C25H25FN4O3 — CID 144548145

IUPAC4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine
SMILESCC(NC(=O)c1ccc(F)c(NC=O)c1)C(O)c1ccccc1.Cc1cnc2ccccn12
InChIInChI=1S/C17H17FN2O3.C8H8N2/c1-11(16(22)12-5-3-2-4-6-12)20-17(23)13-7-8-14(18)15(9-13)19-10-21;1-7-6-9-8-4-2-3-5-10(7)8/h2-11,16,22H,1H3,(H,19,21)(H,20,23);2-6H,1H3
InChIKeyFGVKTYLYKHHYCJ-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.89
Rot. Bonds6

About 4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine

4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine (PubChem CID 144548145) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine
PubChem CID144548145
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine
SMILESCC(NC(=O)c1ccc(F)c(NC=O)c1)C(O)c1ccccc1.Cc1cnc2ccccn12
InChIInChI=1S/C17H17FN2O3.C8H8N2/c1-11(16(22)12-5-3-2-4-6-12)20-17(23)13-7-8-14(18)15(9-13)19-10-21;1-7-6-9-8-4-2-3-5-10(7)8/h2-11,16,22H,1H3,(H,19,21)(H,20,23);2-6H,1H3
InChIKeyFGVKTYLYKHHYCJ-UHFFFAOYSA-N
XLogP3.89
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide
CID 40648027
N-[5-[5-(1-butylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]formamide;3-methylimidazo[1,2-a]pyridine
CID 144545275
4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
CID 154861680
N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78048635
(1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride
CID 161161949
N-(2-fluoro-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51335432
N-[2-fluoro-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71283125
N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78048591
N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 78048580
N-[5-(cyclopentylcarbamoyl)-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71292506
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94173617
4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide
CID 95153058

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine?
The IUPAC name of 4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine (CID 144548145) is 4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine is CC(NC(=O)c1ccc(F)c(NC=O)c1)C(O)c1ccccc1.Cc1cnc2ccccn12.
What is the InChIKey of 4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine?
The InChIKey is FGVKTYLYKHHYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3.C8H8N2/c1-11(16(22)12-5-3-2-4-6-12)20-17(23)13-7-8-14(18)15(9-13)19-10-21;1-7-6-9-8-4-2-3-5-10(7)8/h2-11,16,22H,1H3,(H,19,21)(H,20,23);2-6H,1H3.
What are the key properties of 4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine?
4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine has a molecular weight of 448.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 144548145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).