N-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide

C25H23FN4O4S — CID 71283196

IUPACN-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCSc1ccc([C@H](O)[C@H](CO)NC(=O)c2ccc(F)c(NC(=O)c3cnc4ccccn34)c2)cc1
InChIInChI=1S/C25H23FN4O4S/c1-35-17-8-5-15(6-9-17)23(32)20(14-31)29-24(33)16-7-10-18(26)19(12-16)28-25(34)21-13-27-22-4-2-3-11-30(21)22/h2-13,20,23,31-32H,14H2,1H3,(H,28,34)(H,29,33)/t20-,23-/m0/s1
InChIKeyPJJKGMDKCICJIN-REWPJTCUSA-N
MW494.55 g/mol
LogP3.27
Rot. Bonds8

About N-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71283196) has the molecular formula C25H23FN4O4S and a molecular weight of 494.55 g/mol. Its IUPAC name is N-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71283196
Molecular FormulaC25H23FN4O4S
Molecular Weight494.55 g/mol
Exact Mass494.14
IUPAC NameN-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCSc1ccc([C@H](O)[C@H](CO)NC(=O)c2ccc(F)c(NC(=O)c3cnc4ccccn34)c2)cc1
InChIInChI=1S/C25H23FN4O4S/c1-35-17-8-5-15(6-9-17)23(32)20(14-31)29-24(33)16-7-10-18(26)19(12-16)28-25(34)21-13-27-22-4-2-3-11-30(21)22/h2-13,20,23,31-32H,14H2,1H3,(H,28,34)(H,29,33)/t20-,23-/m0/s1
InChIKeyPJJKGMDKCICJIN-REWPJTCUSA-N
XLogP3.27
TPSA115.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[[4-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 44519108
N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 56943155
8-N-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588465
8-N-[(3,4-difluorophenyl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588596
8-N-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]phenyl]methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588637
4-[[[2-[(4-Fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
CID 69084684
3-[[5-Fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid
CID 70295582
3-[Acetyl-[5-fluoro-3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]acetyl]-2-pyridinyl]amino]benzoic acid
CID 70295600
N-[2-fluoro-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282770
N-(2-fluoro-5-(((1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl)phenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 71282808
N-[2-fluoro-5-[[(2S)-2-hydroxy-2-phenylethyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282835
N-[2-fluoro-5-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282837

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71283196) is N-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide is CSc1ccc([C@H](O)[C@H](CO)NC(=O)c2ccc(F)c(NC(=O)c3cnc4ccccn34)c2)cc1.
What is the InChIKey of N-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PJJKGMDKCICJIN-REWPJTCUSA-N. The full InChI is InChI=1S/C25H23FN4O4S/c1-35-17-8-5-15(6-9-17)23(32)20(14-31)29-24(33)16-7-10-18(26)19(12-16)28-25(34)21-13-27-22-4-2-3-11-30(21)22/h2-13,20,23,31-32H,14H2,1H3,(H,28,34)(H,29,33)/t20-,23-/m0/s1.
What are the key properties of N-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 3.27, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71283196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).