2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one

C31H32FN7O4 — CID 155095168

IUPAC2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one
SMILESCC1(C)OC(=O)c2ccc(Nc3cc(NC(CO)c4ccccc4)c(-c4nc(C5CN6CCC5(F)CC6)no4)cn3)nc21
InChIInChI=1S/C31H32FN7O4/c1-30(2)26-19(29(41)42-30)8-9-24(36-26)35-25-14-22(34-23(17-40)18-6-4-3-5-7-18)20(15-33-25)28-37-27(38-43-28)21-16-39-12-10-31(21,32)11-13-39/h3-9,14-15,21,23,40H,10-13,16-17H2,1-2H3,(H2,33,34,35,36)
InChIKeyCXAXWJKEINZFDM-UHFFFAOYSA-N
MW585.64 g/mol
LogP4.72
Rot. Bonds8

About 2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one

2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one (PubChem CID 155095168) has the molecular formula C31H32FN7O4 and a molecular weight of 585.64 g/mol. Its IUPAC name is 2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one
PubChem CID155095168
Molecular FormulaC31H32FN7O4
Molecular Weight585.64 g/mol
Exact Mass585.25
IUPAC Name2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one
SMILESCC1(C)OC(=O)c2ccc(Nc3cc(NC(CO)c4ccccc4)c(-c4nc(C5CN6CCC5(F)CC6)no4)cn3)nc21
InChIInChI=1S/C31H32FN7O4/c1-30(2)26-19(29(41)42-30)8-9-24(36-26)35-25-14-22(34-23(17-40)18-6-4-3-5-7-18)20(15-33-25)28-37-27(38-43-28)21-16-39-12-10-31(21,32)11-13-39/h3-9,14-15,21,23,40H,10-13,16-17H2,1-2H3,(H2,33,34,35,36)
InChIKeyCXAXWJKEINZFDM-UHFFFAOYSA-N
XLogP4.72
TPSA138.53 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.64
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[5-[3-(1-azabicyclo[2.2.2]octan-4-yl)-1,2,4-oxadiazol-5-yl]-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
CID 154697875
5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
CID 162661951
5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
CID 142587209
5-[[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
CID 142587249
5-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
CID 142587264
5-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
CID 142587282
5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
CID 142587284
5-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
CID 154697863
5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
CID 162670276
5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
CID 142587303
6-[5-chloro-2-[4-[[2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-5-[(2-fluoro-3-hydroxy-3-methylbutyl)carbamoyl]-4-pyridinyl]amino]oxan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]-4-(cyclobutylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 123282781
6-[5-cyano-2-[4-[[2-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-5-[(2-fluoro-3-hydroxy-3-methylbutyl)carbamoyl]-4-pyridinyl]amino]oxan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]-4-(cyclopropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 123578225

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one?
The IUPAC name of 2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one (CID 155095168) is 2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one is CC1(C)OC(=O)c2ccc(Nc3cc(NC(CO)c4ccccc4)c(-c4nc(C5CN6CCC5(F)CC6)no4)cn3)nc21.
What is the InChIKey of 2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one?
The InChIKey is CXAXWJKEINZFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN7O4/c1-30(2)26-19(29(41)42-30)8-9-24(36-26)35-25-14-22(34-23(17-40)18-6-4-3-5-7-18)20(15-33-25)28-37-27(38-43-28)21-16-39-12-10-31(21,32)11-13-39/h3-9,14-15,21,23,40H,10-13,16-17H2,1-2H3,(H2,33,34,35,36).
What are the key properties of 2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one?
2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one has a molecular weight of 585.64 g/mol, XLogP of 4.72, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-(4-fluoro-1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-5-yl]-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one is sourced from PubChem (CID 155095168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).