N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylthiophene-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethyl-1,2-thiazole-5-carboxamide

C92H72F11N19O15S3 — CID 159942626

About N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylthiophene-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethyl-1,2-thiazole-5-carboxamide

N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylthiophene-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethyl-1,2-thiazole-5-carboxamide (PubChem CID 159942626) has the molecular formula C92H72F11N19O15S3 and a molecular weight of 1988.88 g/mol. Its IUPAC name is N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylthiophene-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethyl-1,2-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylthiophene-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethyl-1,2-thiazole-5-carboxamide
• PubChem CID: 159942626
• Molecular Formula: C92H72F11N19O15S3
• Molecular Weight: 1988.88 g/mol
• Exact Mass: 1987.44
• IUPAC Name: N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylthiophene-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethyl-1,2-thiazole-5-carboxamide
• SMILES: CCc1cnsc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.CCc1cnsc1C(=O)Nc1cnc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.CCn1cccc1C(=O)Nc1cnc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.Cc1cc2c(cc1-c1cnc(NC(=O)c3ccnn3C(C)F)cn1)OC(F)(F)O2.Cc1cscc1C(=O)Nc1cnc(-c2cc3c(cc2C)OC(F)(F)O3)cn1
• InChI: InChI=1S/C19H16F2N4O3.C19H15F2N3O3S.C18H14F3N5O3.C18H14F2N4O3S.C18H13F2N3O3S/c1-3-25-6-4-5-14(25)18(26)24-17-10-22-13(9-23-17)12-8-16-15(7-11(12)2)27-19(20,21)28-16;1-3-11-9-23-28-17(11)18(25)24-16-5-4-12(8-22-16)13-7-15-14(6-10(13)2)26-19(20,21)27-15;1-9-5-14-15(29-18(20,21)28-14)6-11(9)12-7-23-16(8-22-12)25-17(27)13-3-4-24-26(13)10(2)19;1-3-10-6-23-28-16(10)17(25)24-15-8-21-12(7-22-15)11-5-14-13(4-9(11)2)26-18(19,20)27-14;1-9-3-14-15(26-18(19,20)25-14)4-11(9)13-5-22-16(6-21-13)23-17(24)12-8-27-7-10(12)2/h4-10H,3H2,1-2H3,(H,23,24,26);4-9H,3H2,1-2H3,(H,22,24,25);3-8,10H,1-2H3,(H,23,25,27);4-8H,3H2,1-2H3,(H,22,24,25);3-8H,1-2H3,(H,22,23,24)
• InChIKey: OBBPADVOZMCBAK-UHFFFAOYSA-N
• XLogP: 20.65
• TPSA: 402.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1988.88
LogP ≤ 5	20.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylthiophene-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethyl-1,2-thiazole-5-carboxamide?

The IUPAC name of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylthiophene-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethyl-1,2-thiazole-5-carboxamide (CID 159942626) is N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylthiophene-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethyl-1,2-thiazole-5-carboxamide.

What is the SMILES notation for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylthiophene-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethyl-1,2-thiazole-5-carboxamide?

The canonical SMILES for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylthiophene-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethyl-1,2-thiazole-5-carboxamide is CCc1cnsc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.CCc1cnsc1C(=O)Nc1cnc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.CCn1cccc1C(=O)Nc1cnc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.Cc1cc2c(cc1-c1cnc(NC(=O)c3ccnn3C(C)F)cn1)OC(F)(F)O2.Cc1cscc1C(=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]-1-ethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylthiophene-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethyl-1,2-thiazole-5-carboxamide?

The InChIKey is OBBPADVOZMCBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3.C19H15F2N3O3S.C18H14F3N5O3.C18H14F2N4O3S.C18H13F2N3O3S/c1-3-25-6-4-5-14(25)18(26)24-17-10-22-13(9-23-17)12-8-16-15(7-11(12)2)27-19(20,21)28-16;1-3-11-9-23-28-17(11)18(25)24-16-5-4-12(8-22-16)13-7-15-14(6-10(13)2)26-19(20,21)27-15;1-9-5-14-15(29-18(20,21)28-14)6-11(9)12-7-23-16(8-22-12)25-17(27)13-3-4-24-26(13)10(2)19;1-3-10-6-23-28-16(10)17(25)24-15-8-21-12(7-22-15)11-5-14-13(4-9(11)2)26-18(19,20)27-14;1-9-3-14-15(26-18(19,20)25-14)4-11(9)13-5-22-16(6-21-13)23-17(24)12-8-27-7-10(12)2/h4-10H,3H2,1-2H3,(H,23,24,26);4-9H,3H2,1-2H3,(H,22,24,25);3-8,10H,1-2H3,(H,23,25,27);4-8H,3H2,1-2H3,(H,22,24,25);3-8H,1-2H3,(H,22,23,24).

What are the key properties of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylthiophene-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethyl-1,2-thiazole-5-carboxamide?

N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylthiophene-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethyl-1,2-thiazole-5-carboxamide has a molecular weight of 1988.88 g/mol, XLogP of 20.65, 19 rotatable bonds, 5 hydrogen bond donors, and 32 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]-1-ethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylthiophene-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethyl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 159942626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).