N-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C23H18FN5O2 — CID 86763586

IUPACN-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(CNc2nc3cc(F)ccc3o2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C23H18FN5O2/c1-14-5-6-15(12-26-23-28-18-11-16(24)7-8-20(18)31-23)10-17(14)27-22(30)19-13-25-21-4-2-3-9-29(19)21/h2-11,13H,12H2,1H3,(H,26,28)(H,27,30)
InChIKeyUSVKVGHMFPJVIM-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.79
Rot. Bonds5

About N-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86763586) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86763586
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC NameN-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(CNc2nc3cc(F)ccc3o2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C23H18FN5O2/c1-14-5-6-15(12-26-23-28-18-11-16(24)7-8-20(18)31-23)10-17(14)27-22(30)19-13-25-21-4-2-3-9-29(19)21/h2-11,13H,12H2,1H3,(H,26,28)(H,27,30)
InChIKeyUSVKVGHMFPJVIM-UHFFFAOYSA-N
XLogP4.79
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

Serabelisib
CID 70798655
MK-3328
CID 44555286
N-(5-{(1s)-1-[(5-Fluoro-1,3-Benzoxazol-2-Yl)amino]ethyl}-2-Methylphenyl)imidazo[1,2-A]pyridine-3-Carboxamide
CID 86763813
7-chloro-2-ethyl-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-5-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234666
1-ethyl-N-(5-ethyl-1,3-oxazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 164627154
N-[(1S,2S)-2-[(5-Fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 122438723
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,2,3-tetramethylimidazo[4,5-b]pyridine-6-carboxamide
CID 10743446
N-(2-Methyl-5-oxazolo[4,5-b]pyridin-2-yl-phenyl)-nicotinamide
CID 743073
2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-benzoxazol-4-amine
CID 66679503
6-chloro-2-ethyl-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-5-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235225
7-chloro-N-[(2-cyclohexyl-1,3-benzoxazol-5-yl)methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 68235235
7-chloro-2-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235249

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 86763586) is N-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(CNc2nc3cc(F)ccc3o2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is USVKVGHMFPJVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c1-14-5-6-15(12-26-23-28-18-11-16(24)7-8-20(18)31-23)10-17(14)27-22(30)19-13-25-21-4-2-3-9-29(19)21/h2-11,13H,12H2,1H3,(H,26,28)(H,27,30).
What are the key properties of N-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86763586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).