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

C31H26FN5O4 — CID 58158493

IUPACN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide
SMILESCc1cccc(-n2c(C)ccc(C(=O)Nc3ccc(Oc4ccc5nc(NC(=O)C6CC6)cn5c4)c(F)c3)c2=O)c1
InChIInChI=1S/C31H26FN5O4/c1-18-4-3-5-22(14-18)37-19(2)6-11-24(31(37)40)30(39)33-21-9-12-26(25(32)15-21)41-23-10-13-28-34-27(17-36(28)16-23)35-29(38)20-7-8-20/h3-6,9-17,20H,7-8H2,1-2H3,(H,33,39)(H,35,38)
InChIKeyLIVAKVRXOKBWBB-UHFFFAOYSA-N
MW551.58 g/mol
LogP5.63
Rot. Bonds7

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

N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide (PubChem CID 58158493) has the molecular formula C31H26FN5O4 and a molecular weight of 551.58 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide
PubChem CID58158493
Molecular FormulaC31H26FN5O4
Molecular Weight551.58 g/mol
Exact Mass551.20
IUPAC NameN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide
SMILESCc1cccc(-n2c(C)ccc(C(=O)Nc3ccc(Oc4ccc5nc(NC(=O)C6CC6)cn5c4)c(F)c3)c2=O)c1
InChIInChI=1S/C31H26FN5O4/c1-18-4-3-5-22(14-18)37-19(2)6-11-24(31(37)40)30(39)33-21-9-12-26(25(32)15-21)41-23-10-13-28-34-27(17-36(28)16-23)35-29(38)20-7-8-20/h3-6,9-17,20H,7-8H2,1-2H3,(H,33,39)(H,35,38)
InChIKeyLIVAKVRXOKBWBB-UHFFFAOYSA-N
XLogP5.63
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.58
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide with MolForge

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Related Compounds

1-(2-fluoro-4-((5-methyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15949613
1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 21081761
Imidazopyridine-urea,42
CID 10117977
Imidazopyridine-urea, 44
CID 10278844
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 21081760
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-(3-methylbutyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 21081766
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide
CID 21081770
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-2-oxo-1-(pyridin-3-yl)-1,2-dihydropyridine-3-carboxamide
CID 21081772
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 44181153
N-[4-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-a]pyridin-6-yl}oxy)-3-fluorophenyl]-6-methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide hydrochloride
CID 66968886
N-[4-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-a]pyridin-6-yl}oxy)-3-fluorophenyl]-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide
CID 66968949
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 70988670

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 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) is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide is Cc1cccc(-n2c(C)ccc(C(=O)Nc3ccc(Oc4ccc5nc(NC(=O)C6CC6)cn5c4)c(F)c3)c2=O)c1.
What is the InChIKey of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is LIVAKVRXOKBWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN5O4/c1-18-4-3-5-22(14-18)37-19(2)6-11-24(31(37)40)30(39)33-21-9-12-26(25(32)15-21)41-23-10-13-28-34-27(17-36(28)16-23)35-29(38)20-7-8-20/h3-6,9-17,20H,7-8H2,1-2H3,(H,33,39)(H,35,38).
What are the key properties of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide?
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 551.58 g/mol, XLogP of 5.63, 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]-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 58158493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).