6-(2,5-dimethylfuran-3-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C25H22FN5O3 — CID 46528273

IUPAC6-(2,5-dimethylfuran-3-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC(c3ccccc3F)c3nccn3C)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C25H22FN5O3/c1-13-11-17(15(3)33-13)20-12-18(21-14(2)30-34-25(21)28-20)24(32)29-22(23-27-9-10-31(23)4)16-7-5-6-8-19(16)26/h5-12,22H,1-4H3,(H,29,32)
InChIKeyVYIHGOIJXYZAEQ-UHFFFAOYSA-N
MW459.48 g/mol
LogP4.80
Rot. Bonds5

About 6-(2,5-dimethylfuran-3-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylfuran-3-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46528273) has the molecular formula C25H22FN5O3 and a molecular weight of 459.48 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46528273
Molecular FormulaC25H22FN5O3
Molecular Weight459.48 g/mol
Exact Mass459.17
IUPAC Name6-(2,5-dimethylfuran-3-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC(c3ccccc3F)c3nccn3C)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C25H22FN5O3/c1-13-11-17(15(3)33-13)20-12-18(21-14(2)30-34-25(21)28-20)24(32)29-22(23-27-9-10-31(23)4)16-7-5-6-8-19(16)26/h5-12,22H,1-4H3,(H,29,32)
InChIKeyVYIHGOIJXYZAEQ-UHFFFAOYSA-N
XLogP4.80
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(aminomethyl)benzamide
CID 16099860
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)benzamide
CID 11339681
1-(3-{[2-(4-Amino-furazan-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)ethanone
CID 11772907
N-(3-((2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl)oxy)phenyl)-4-(dimethylamino)benzamide
CID 16099859
2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-(trideuteriomethoxy)pyridin-3-yl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 85471549
4-[7-(3-aminopropoxy)-1-ethyl-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 25023721
2-(4-fluorophenyl)-N-methyl-5-[5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)pyridin-3-yl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 85471810
2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxypyridin-3-yl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 85471812
5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridin-5-yl]-2-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 85471942
7-(cyclopropanecarbonylamino)-2-[2-ethoxy-6-fluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592274
[4-[[[2-(Furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 45488670
2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 85471685

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 46528273) is 6-(2,5-dimethylfuran-3-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NC(c3ccccc3F)c3nccn3C)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VYIHGOIJXYZAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O3/c1-13-11-17(15(3)33-13)20-12-18(21-14(2)30-34-25(21)28-20)24(32)29-22(23-27-9-10-31(23)4)16-7-5-6-8-19(16)26/h5-12,22H,1-4H3,(H,29,32).
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylfuran-3-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 459.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46528273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).