[(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite

C24H21FN4O3 — CID 171796662

IUPAC[(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite
SMILESC/C(=N\OF)c1ccc(C)c(NC(=O)c2cnc3cc(OCc4ccccc4)ccn23)c1
InChIInChI=1S/C24H21FN4O3/c1-16-8-9-19(17(2)28-32-25)12-21(16)27-24(30)22-14-26-23-13-20(10-11-29(22)23)31-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,27,30)/b28-17+
InChIKeyHLYGPCOOSHNKHW-OGLMXYFKSA-N
MW432.46 g/mol
LogP5.10
Rot. Bonds7

About [(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite

[(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite (PubChem CID 171796662) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is [(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite.

Molecular Properties

Compound Name[(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite
PubChem CID171796662
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name[(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite
SMILESC/C(=N\OF)c1ccc(C)c(NC(=O)c2cnc3cc(OCc4ccccc4)ccn23)c1
InChIInChI=1S/C24H21FN4O3/c1-16-8-9-19(17(2)28-32-25)12-21(16)27-24(30)22-14-26-23-13-20(10-11-29(22)23)31-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,27,30)/b28-17+
InChIKeyHLYGPCOOSHNKHW-OGLMXYFKSA-N
XLogP5.10
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144771657
N-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176677255
N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 144771697
N-[5-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282200
ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 144771651
N-[5-[(1S)-1-[[3-(2,2-difluoroethoxy)benzoyl]amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86764466
N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123638257
ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 144771693
N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 171795486
N-[2-methyl-5-[(pyridine-3-carbonylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86763809
N-[5-[5-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoropropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 171796425
tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate
CID 71280675

Frequently Asked Questions

What is the IUPAC name of [(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite?
The IUPAC name of [(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite (CID 171796662) is [(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite.
What is the SMILES notation for [(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite?
The canonical SMILES for [(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite is C/C(=N\OF)c1ccc(C)c(NC(=O)c2cnc3cc(OCc4ccccc4)ccn23)c1.
What is the InChIKey of [(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite?
The InChIKey is HLYGPCOOSHNKHW-OGLMXYFKSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-16-8-9-19(17(2)28-32-25)12-21(16)27-24(30)22-14-26-23-13-20(10-11-29(22)23)31-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,27,30)/b28-17+.
What are the key properties of [(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite?
[(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite has a molecular weight of 432.46 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite is sourced from PubChem (CID 171796662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).