N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;4-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide

C109H81Cl5F13N25O18 — CID 162111855

About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;4-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;4-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide (PubChem CID 162111855) has the molecular formula C109H81Cl5F13N25O18 and a molecular weight of 2453.24 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;4-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;4-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide
• PubChem CID: 162111855
• Molecular Formula: C109H81Cl5F13N25O18
• Molecular Weight: 2453.24 g/mol
• Exact Mass: 2449.44
• IUPAC Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;4-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide
• SMILES: CC(F)n1nccc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CCn1cccc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1cc2c(cc1-c1ccc(NC(=O)c3cccn3C)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(Cl)c(C)cn3C)cn1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(Cl)c(C)nn3C)cn1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(Cl)ccn3C)cn1)OC(F)(F)O2
• InChI: InChI=1S/C19H15ClF2N4O3.C19H15F2N3O3.C18H14ClF2N5O3.2C18H13ClF2N4O3.C17H11ClF3N5O3/c1-9-4-13-14(29-19(21,22)28-13)5-11(9)12-6-24-15(7-23-12)25-18(27)17-16(20)10(2)8-26(17)3;1-11-8-15-16(27-19(20,21)26-15)9-13(11)12-5-6-17(22-10-12)23-18(25)14-4-3-7-24(14)2;1-8-4-12-13(29-18(20,21)28-12)5-10(8)11-6-23-14(7-22-11)24-17(27)16-15(19)9(2)25-26(16)3;1-9-5-13-14(28-18(20,21)27-13)6-10(9)12-7-23-15(8-22-12)24-17(26)16-11(19)3-4-25(16)2;1-2-25-5-3-4-13(25)17(26)24-16-9-22-12(8-23-16)10-6-14-15(7-11(10)19)28-18(20,21)27-14;1-8(19)26-12(2-3-24-26)16(27)25-15-7-22-11(6-23-15)9-4-13-14(5-10(9)18)29-17(20,21)28-13/h4-8H,1-3H3,(H,24,25,27);3-10H,1-2H3,(H,22,23,25);4-7H,1-3H3,(H,23,24,27);3-8H,1-2H3,(H,23,24,26);3-9H,2H2,1H3,(H,23,24,26);2-8H,1H3,(H,23,25,27)
• InChIKey: ZGGHWOZJLMGSSH-UHFFFAOYSA-N
• XLogP: 24.28
• TPSA: 482.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2453.24
LogP ≤ 5	24.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

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

The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;4-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide (CID 162111855) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;4-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide.

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

The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;4-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide is CC(F)n1nccc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CCn1cccc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1cc2c(cc1-c1ccc(NC(=O)c3cccn3C)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(Cl)c(C)cn3C)cn1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(Cl)c(C)nn3C)cn1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c(Cl)ccn3C)cn1)OC(F)(F)O2.

What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;4-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide?

The InChIKey is ZGGHWOZJLMGSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N4O3.C19H15F2N3O3.C18H14ClF2N5O3.2C18H13ClF2N4O3.C17H11ClF3N5O3/c1-9-4-13-14(29-19(21,22)28-13)5-11(9)12-6-24-15(7-23-12)25-18(27)17-16(20)10(2)8-26(17)3;1-11-8-15-16(27-19(20,21)26-15)9-13(11)12-5-6-17(22-10-12)23-18(25)14-4-3-7-24(14)2;1-8-4-12-13(29-18(20,21)28-12)5-10(8)11-6-23-14(7-22-11)24-17(27)16-15(19)9(2)25-26(16)3;1-9-5-13-14(28-18(20,21)27-13)6-10(9)12-7-23-15(8-22-12)24-17(26)16-11(19)3-4-25(16)2;1-2-25-5-3-4-13(25)17(26)24-16-9-22-12(8-23-16)10-6-14-15(7-11(10)19)28-18(20,21)27-14;1-8(19)26-12(2-3-24-26)16(27)25-15-7-22-11(6-23-15)9-4-13-14(5-10(9)18)29-17(20,21)28-13/h4-8H,1-3H3,(H,24,25,27);3-10H,1-2H3,(H,22,23,25);4-7H,1-3H3,(H,23,24,27);3-8H,1-2H3,(H,23,24,26);3-9H,2H2,1H3,(H,23,24,26);2-8H,1H3,(H,23,25,27).

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

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;4-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 2453.24 g/mol, XLogP of 24.28, 20 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;4-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 162111855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).