4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C66H72BClN8O10 — CID 158114670

IUPAC4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
SMILESCN(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)C1CCOCC1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(-c3ccc(N(C)C4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(Cl)c2o1
InChIInChI=1S/C30H30N4O4.C19H27BN2O3.C17H15ClN2O3/c1-33(2)30(35)20-5-7-24(27(16-20)36-4)28-17-25-29(38-28)23(9-12-32-25)19-6-8-26(21(15-19)18-31)34(3)22-10-13-37-14-11-22;1-18(2)19(3,4)25-20(24-18)15-6-7-17(14(12-15)13-21)22(5)16-8-10-23-11-9-16;1-20(2)17(21)10-4-5-11(14(8-10)22-3)15-9-13-16(23-15)12(18)6-7-19-13/h5-9,12,15-17,22H,10-11,13-14H2,1-4H3;6-7,12,16H,8-11H2,1-5H3;4-9H,1-3H3
InChIKeyFQVVQSRULFLGIS-UHFFFAOYSA-N
MW1183.61 g/mol
LogP11.69
Rot. Bonds12

About 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (PubChem CID 158114670) has the molecular formula C66H72BClN8O10 and a molecular weight of 1183.61 g/mol. Its IUPAC name is 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
PubChem CID158114670
Molecular FormulaC66H72BClN8O10
Molecular Weight1183.61 g/mol
Exact Mass1182.52
IUPAC Name4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
SMILESCN(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)C1CCOCC1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(-c3ccc(N(C)C4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(Cl)c2o1
InChIInChI=1S/C30H30N4O4.C19H27BN2O3.C17H15ClN2O3/c1-33(2)30(35)20-5-7-24(27(16-20)36-4)28-17-25-29(38-28)23(9-12-32-25)19-6-8-26(21(15-19)18-31)34(3)22-10-13-37-14-11-22;1-18(2)19(3,4)25-20(24-18)15-6-7-17(14(12-15)13-21)22(5)16-8-10-23-11-9-16;1-20(2)17(21)10-4-5-11(14(8-10)22-3)15-9-13-16(23-15)12(18)6-7-19-13/h5-9,12,15-17,22H,10-11,13-14H2,1-4H3;6-7,12,16H,8-11H2,1-5H3;4-9H,1-3H3
InChIKeyFQVVQSRULFLGIS-UHFFFAOYSA-N
XLogP11.69
TPSA202.12 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001183.61
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile with MolForge

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Related Compounds

2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methoxyphenyl]furo[3,2-b]pyridin-7-yl]benzonitrile
CID 124155998
2-(3-Fluoropyrrolidin-1-yl)-5-[2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methoxyphenyl]furo[3,2-b]pyridin-7-yl]benzonitrile
CID 124155999
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide
CID 124156028
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[7-[3-cyano-4-(3-fluoropyrrolidin-1-yl)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide
CID 124156029
4-[7-[3-cyano-4-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide
CID 124156147
4-[7-[3-cyano-4-(3-fluoropyrrolidin-1-yl)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide
CID 124156148
4-[7-[3-cyano-5-fluoro-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide
CID 124156468
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[7-[3-cyano-4-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide
CID 124156623
5-[2-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-methoxyphenyl]furo[3,2-b]pyridin-7-yl]-2-[(3S)-3-fluoropyrrolidin-1-yl]benzonitrile
CID 124156815
5-[2-[4-[3-(Dimethylamino)pyrrolidine-1-carbonyl]-2-methoxyphenyl]furo[3,2-b]pyridin-7-yl]-2-(3-fluoropyrrolidin-1-yl)benzonitrile
CID 124156816
4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-fluorooxan-4-yl)-3-methoxybenzamide
CID 124156827
4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3-fluoropiperidin-4-yl)-3-methoxybenzamide
CID 124156873

Frequently Asked Questions

What is the IUPAC name of 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?
The IUPAC name of 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CID 158114670) is 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.
What is the SMILES notation for 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?
The canonical SMILES for 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is CN(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)C1CCOCC1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(-c3ccc(N(C)C4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(Cl)c2o1.
What is the InChIKey of 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?
The InChIKey is FQVVQSRULFLGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4.C19H27BN2O3.C17H15ClN2O3/c1-33(2)30(35)20-5-7-24(27(16-20)36-4)28-17-25-29(38-28)23(9-12-32-25)19-6-8-26(21(15-19)18-31)34(3)22-10-13-37-14-11-22;1-18(2)19(3,4)25-20(24-18)15-6-7-17(14(12-15)13-21)22(5)16-8-10-23-11-9-16;1-20(2)17(21)10-4-5-11(14(8-10)22-3)15-9-13-16(23-15)12(18)6-7-19-13/h5-9,12,15-17,22H,10-11,13-14H2,1-4H3;6-7,12,16H,8-11H2,1-5H3;4-9H,1-3H3.
What are the key properties of 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?
4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile has a molecular weight of 1183.61 g/mol, XLogP of 11.69, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[methyl(oxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[methyl(oxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is sourced from PubChem (CID 158114670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).