6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide

C35H28F3N7O2 — CID 118595519

IUPAC6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(C)C)c(-c3ccc4nc(CN5CC(F)C5)n5c6cccc(F)c6cc5c4n3)cc12
InChIInChI=1S/C35H28F3N7O2/c1-39-34(46)30-23-13-22(33(43(2)3)42-35(23)47-32(30)18-7-9-19(36)10-8-18)25-11-12-26-31(41-25)28-14-21-24(38)5-4-6-27(21)45(28)29(40-26)17-44-15-20(37)16-44/h4-14,20H,15-17H2,1-3H3,(H,39,46)
InChIKeyYDACCNJYUMANOU-UHFFFAOYSA-N
MW635.65 g/mol
LogP6.37
Rot. Bonds6

About 6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide

6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide (PubChem CID 118595519) has the molecular formula C35H28F3N7O2 and a molecular weight of 635.65 g/mol. Its IUPAC name is 6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
PubChem CID118595519
Molecular FormulaC35H28F3N7O2
Molecular Weight635.65 g/mol
Exact Mass635.23
IUPAC Name6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(C)C)c(-c3ccc4nc(CN5CC(F)C5)n5c6cccc(F)c6cc5c4n3)cc12
InChIInChI=1S/C35H28F3N7O2/c1-39-34(46)30-23-13-22(33(43(2)3)42-35(23)47-32(30)18-7-9-19(36)10-8-18)25-11-12-26-31(41-25)28-14-21-24(38)5-4-6-27(21)45(28)29(40-26)17-44-15-20(37)16-44/h4-14,20H,15-17H2,1-3H3,(H,39,46)
InChIKeyYDACCNJYUMANOU-UHFFFAOYSA-N
XLogP6.37
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.65
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide (CID 118595519) is 6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(C)C)c(-c3ccc4nc(CN5CC(F)C5)n5c6cccc(F)c6cc5c4n3)cc12.
What is the InChIKey of 6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is YDACCNJYUMANOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28F3N7O2/c1-39-34(46)30-23-13-22(33(43(2)3)42-35(23)47-32(30)18-7-9-19(36)10-8-18)25-11-12-26-31(41-25)28-14-21-24(38)5-4-6-27(21)45(28)29(40-26)17-44-15-20(37)16-44/h4-14,20H,15-17H2,1-3H3,(H,39,46).
What are the key properties of 6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 635.65 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-5-[15-fluoro-9-[(3-fluoroazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 118595519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).