N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide

C29H22FN5O4 — CID 66968949

IUPACN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)c(F)c1)c1cccn(-c2ccccc2)c1=O
InChIInChI=1S/C29H22FN5O4/c30-23-15-19(31-28(37)22-7-4-14-35(29(22)38)20-5-2-1-3-6-20)10-12-24(23)39-21-11-13-26-32-25(17-34(26)16-21)33-27(36)18-8-9-18/h1-7,10-18H,8-9H2,(H,31,37)(H,33,36)
InChIKeyVKRRGKOVGYHCBL-UHFFFAOYSA-N
MW523.52 g/mol
LogP5.02
Rot. Bonds7

About N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide

N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 66968949) has the molecular formula C29H22FN5O4 and a molecular weight of 523.52 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
PubChem CID66968949
Molecular FormulaC29H22FN5O4
Molecular Weight523.52 g/mol
Exact Mass523.17
IUPAC NameN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)c(F)c1)c1cccn(-c2ccccc2)c1=O
InChIInChI=1S/C29H22FN5O4/c30-23-15-19(31-28(37)22-7-4-14-35(29(22)38)20-5-2-1-3-6-20)10-12-24(23)39-21-11-13-26-32-25(17-34(26)16-21)33-27(36)18-8-9-18/h1-7,10-18H,8-9H2,(H,31,37)(H,33,36)
InChIKeyVKRRGKOVGYHCBL-UHFFFAOYSA-N
XLogP5.02
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.52
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide
CID 58158554
6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 143889998
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 58158574
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 58158493
N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 143889995
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide
CID 58158592
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
CID 58158620
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide
CID 58158543
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(4-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide
CID 66968571
N-[3-fluoro-4-[2-(3-methylsulfanylpropanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
CID 46241921
N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
CID 46240360
1-[N-[(Z)-but-2-en-2-yl]-C-methylcarbonimidoyl]-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-2-oxopyridine-3-carboxamide
CID 143840335

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide (CID 66968949) is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)c(F)c1)c1cccn(-c2ccccc2)c1=O.
What is the InChIKey of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is VKRRGKOVGYHCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22FN5O4/c30-23-15-19(31-28(37)22-7-4-14-35(29(22)38)20-5-2-1-3-6-20)10-12-24(23)39-21-11-13-26-32-25(17-34(26)16-21)33-27(36)18-8-9-18/h1-7,10-18H,8-9H2,(H,31,37)(H,33,36).
What are the key properties of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 523.52 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 66968949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).