bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide

C143H94F28N18O21 — CID 161487219

IUPACbis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)CO2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)CO2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)CO2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OCC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OCC(F)(F)O2
InChIInChI=1S/3C21H14F4N2O3.4C20H13F4N3O3/c2*1-11-7-17-16(29-10-21(24,25)30-17)8-13(11)12-5-6-18(26-9-12)27-20(28)19-14(22)3-2-4-15(19)23;1-11-7-16-17(30-21(24,25)10-29-16)8-13(11)12-5-6-18(26-9-12)27-20(28)19-14(22)3-2-4-15(19)23;2*1-10-5-16-15(29-9-20(23,24)30-16)6-11(10)14-7-26-17(8-25-14)27-19(28)18-12(21)3-2-4-13(18)22;2*1-10-5-15-16(30-20(23,24)9-29-15)6-11(10)14-7-26-17(8-25-14)27-19(28)18-12(21)3-2-4-13(18)22/h3*2-9H,10H2,1H3,(H,26,27,28);4*2-8H,9H2,1H3,(H,26,27,28)
InChIKeyWFDAMZMCMDQACE-UHFFFAOYSA-N
MW2932.37 g/mol
LogP32.24
Rot. Bonds21

About bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide

bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide (PubChem CID 161487219) has the molecular formula C143H94F28N18O21 and a molecular weight of 2932.37 g/mol. Its IUPAC name is bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound Namebis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide
PubChem CID161487219
Molecular FormulaC143H94F28N18O21
Molecular Weight2932.37 g/mol
Exact Mass2930.64
IUPAC Namebis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)CO2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)CO2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)CO2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OCC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OCC(F)(F)O2
InChIInChI=1S/3C21H14F4N2O3.4C20H13F4N3O3/c2*1-11-7-17-16(29-10-21(24,25)30-17)8-13(11)12-5-6-18(26-9-12)27-20(28)19-14(22)3-2-4-15(19)23;1-11-7-16-17(30-21(24,25)10-29-16)8-13(11)12-5-6-18(26-9-12)27-20(28)19-14(22)3-2-4-15(19)23;2*1-10-5-16-15(29-9-20(23,24)30-16)6-11(10)14-7-26-17(8-25-14)27-19(28)18-12(21)3-2-4-13(18)22;2*1-10-5-15-16(30-20(23,24)9-29-15)6-11(10)14-7-26-17(8-25-14)27-19(28)18-12(21)3-2-4-13(18)22/h3*2-9H,10H2,1H3,(H,26,27,28);4*2-8H,9H2,1H3,(H,26,27,28)
InChIKeyWFDAMZMCMDQACE-UHFFFAOYSA-N
XLogP32.24
TPSA474.71 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002932.37
LogP ≤ 532.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide 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

2,6-difluoro-N-[5-(2-methyl-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]benzamide
CID 45274036
3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide
CID 58486656
2-fluoro-6-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide
CID 58486740
N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 58486761
N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 58486808
N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyridin-2-yl]-2,6-difluorobenzamide
CID 58486891
3-fluoro-5-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 58486917
3,5-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide
CID 58486923
2-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide
CID 58486961
2,6-difluoro-N-[5-(2,2,3,3-tetrafluoro-7-methyl-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide
CID 58487013
(2,6-difluorophenyl)-N-[5-(7-methyl-2H,3H-benzo[e]1,4-dioxin-6-yl)pyrazin-2-yl]carboxamide
CID 58487017
(2,6-difluorophenyl)-N-[5-(7-methyl-2H,3H-benzo[e]1,4-dioxin-6-yl)(2-pyridyl)]carboxamide
CID 58487156

Frequently Asked Questions

What is the IUPAC name of bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide (CID 161487219) is bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)CO2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)CO2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)CO2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OCC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OCC(F)(F)O2.
What is the InChIKey of bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is WFDAMZMCMDQACE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H14F4N2O3.4C20H13F4N3O3/c2*1-11-7-17-16(29-10-21(24,25)30-17)8-13(11)12-5-6-18(26-9-12)27-20(28)19-14(22)3-2-4-15(19)23;1-11-7-16-17(30-21(24,25)10-29-16)8-13(11)12-5-6-18(26-9-12)27-20(28)19-14(22)3-2-4-15(19)23;2*1-10-5-16-15(29-9-20(23,24)30-16)6-11(10)14-7-26-17(8-25-14)27-19(28)18-12(21)3-2-4-13(18)22;2*1-10-5-15-16(30-20(23,24)9-29-15)6-11(10)14-7-26-17(8-25-14)27-19(28)18-12(21)3-2-4-13(18)22/h3*2-9H,10H2,1H3,(H,26,27,28);4*2-8H,9H2,1H3,(H,26,27,28).
What are the key properties of bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide?
bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 2932.37 g/mol, XLogP of 32.24, 21 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);bis(N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide);N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 161487219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).