N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide

C125H91F12N15O21 — CID 160617817

IUPACN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC1(COC1)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)nc1)OC1(COC1)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3F)cn1)OC(F)(F)O2.Cc1ccccc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC2(COC2)O3)cn1.Cc1ccccc1C(=O)Nc1cnc(-c2cc3c(cc2C)OC(F)(F)O3)cn1
InChIInChI=1S/C23H20N2O4.C22H16F2N2O4.C22H17FN2O4.C20H15F2N3O3.C19H11F4N3O3.C19H12F3N3O3/c1-14-5-3-4-6-17(14)22(26)25-21-8-7-16(11-24-21)18-10-20-19(9-15(18)2)28-23(29-20)12-27-13-23;1-12-7-17-18(30-22(29-17)10-28-11-22)8-14(12)13-5-6-19(25-9-13)26-21(27)20-15(23)3-2-4-16(20)24;1-13-8-18-19(29-22(28-18)11-27-12-22)9-16(13)14-6-7-20(24-10-14)25-21(26)15-4-2-3-5-17(15)23;1-11-5-3-4-6-13(11)19(26)25-18-10-23-15(9-24-18)14-8-17-16(7-12(14)2)27-20(21,22)28-17;1-9-5-14-15(29-19(22,23)28-14)6-10(9)13-7-25-16(8-24-13)26-18(27)17-11(20)3-2-4-12(17)21;1-10-6-15-16(28-19(21,22)27-15)7-12(10)14-8-24-17(9-23-14)25-18(26)11-4-2-3-5-13(11)20/h3-11H,12-13H2,1-2H3,(H,24,25,26);2-9H,10-11H2,1H3,(H,25,26,27);2-10H,11-12H2,1H3,(H,24,25,26);3-10H,1-2H3,(H,24,25,26);2-8H,1H3,(H,25,26,27);2-9H,1H3,(H,24,25,26)
InChIKeyRGHVZYMYQMSXLS-UHFFFAOYSA-N
MW2367.16 g/mol
LogP24.95
Rot. Bonds18

About N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide

N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide (PubChem CID 160617817) has the molecular formula C125H91F12N15O21 and a molecular weight of 2367.16 g/mol. Its IUPAC name is N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide
PubChem CID160617817
Molecular FormulaC125H91F12N15O21
Molecular Weight2367.16 g/mol
Exact Mass2365.63
IUPAC NameN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC1(COC1)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)nc1)OC1(COC1)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3F)cn1)OC(F)(F)O2.Cc1ccccc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC2(COC2)O3)cn1.Cc1ccccc1C(=O)Nc1cnc(-c2cc3c(cc2C)OC(F)(F)O3)cn1
InChIInChI=1S/C23H20N2O4.C22H16F2N2O4.C22H17FN2O4.C20H15F2N3O3.C19H11F4N3O3.C19H12F3N3O3/c1-14-5-3-4-6-17(14)22(26)25-21-8-7-16(11-24-21)18-10-20-19(9-15(18)2)28-23(29-20)12-27-13-23;1-12-7-17-18(30-22(29-17)10-28-11-22)8-14(12)13-5-6-19(25-9-13)26-21(27)20-15(23)3-2-4-16(20)24;1-13-8-18-19(29-22(28-18)11-27-12-22)9-16(13)14-6-7-20(24-10-14)25-21(26)15-4-2-3-5-17(15)23;1-11-5-3-4-6-13(11)19(26)25-18-10-23-15(9-24-18)14-8-17-16(7-12(14)2)27-20(21,22)28-17;1-9-5-14-15(29-19(22,23)28-14)6-10(9)13-7-25-16(8-24-13)26-18(27)17-11(20)3-2-4-12(17)21;1-10-6-15-16(28-19(21,22)27-15)7-12(10)14-8-24-17(9-23-14)25-18(26)11-4-2-3-5-13(11)20/h3-11H,12-13H2,1-2H3,(H,24,25,26);2-9H,10-11H2,1H3,(H,25,26,27);2-10H,11-12H2,1H3,(H,24,25,26);3-10H,1-2H3,(H,24,25,26);2-8H,1H3,(H,25,26,27);2-9H,1H3,(H,24,25,26)
InChIKeyRGHVZYMYQMSXLS-UHFFFAOYSA-N
XLogP24.95
TPSA429.06 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002367.16
LogP ≤ 524.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide?
The IUPAC name of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide (CID 160617817) is N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC1(COC1)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)nc1)OC1(COC1)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3F)cn1)OC(F)(F)O2.Cc1ccccc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC2(COC2)O3)cn1.Cc1ccccc1C(=O)Nc1cnc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.
What is the InChIKey of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide?
The InChIKey is RGHVZYMYQMSXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4.C22H16F2N2O4.C22H17FN2O4.C20H15F2N3O3.C19H11F4N3O3.C19H12F3N3O3/c1-14-5-3-4-6-17(14)22(26)25-21-8-7-16(11-24-21)18-10-20-19(9-15(18)2)28-23(29-20)12-27-13-23;1-12-7-17-18(30-22(29-17)10-28-11-22)8-14(12)13-5-6-19(25-9-13)26-21(27)20-15(23)3-2-4-16(20)24;1-13-8-18-19(29-22(28-18)11-27-12-22)9-16(13)14-6-7-20(24-10-14)25-21(26)15-4-2-3-5-17(15)23;1-11-5-3-4-6-13(11)19(26)25-18-10-23-15(9-24-18)14-8-17-16(7-12(14)2)27-20(21,22)28-17;1-9-5-14-15(29-19(22,23)28-14)6-10(9)13-7-25-16(8-24-13)26-18(27)17-11(20)3-2-4-12(17)21;1-10-6-15-16(28-19(21,22)27-15)7-12(10)14-8-24-17(9-23-14)25-18(26)11-4-2-3-5-13(11)20/h3-11H,12-13H2,1-2H3,(H,24,25,26);2-9H,10-11H2,1H3,(H,25,26,27);2-10H,11-12H2,1H3,(H,24,25,26);3-10H,1-2H3,(H,24,25,26);2-8H,1H3,(H,25,26,27);2-9H,1H3,(H,24,25,26).
What are the key properties of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide?
N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide has a molecular weight of 2367.16 g/mol, XLogP of 24.95, 18 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 160617817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).