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;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide

C56H45Cl2F6N13O9 — CID 160567384

About 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;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-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;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide (PubChem CID 160567384) has the molecular formula C56H45Cl2F6N13O9 and a molecular weight of 1228.95 g/mol. Its IUPAC name is 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;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide.

Molecular Properties

• Compound Name: 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;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide
• PubChem CID: 160567384
• Molecular Formula: C56H45Cl2F6N13O9
• Molecular Weight: 1228.95 g/mol
• Exact Mass: 1227.27
• IUPAC Name: 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;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide
• SMILES: CC1=NCC(C)=C1C(=O)Nc1cnc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.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
• InChI: InChI=1S/C19H15ClF2N4O3.C19H16F2N4O3.C18H14ClF2N5O3/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;1-9-4-14-15(28-19(20,21)27-14)5-12(9)13-7-24-16(8-23-13)25-18(26)17-10(2)6-22-11(17)3;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/h4-8H,1-3H3,(H,24,25,27);4-5,7-8H,6H2,1-3H3,(H,24,25,26);4-7H,1-3H3,(H,23,24,27)
• InChIKey: RACHPSPVFUFYAV-UHFFFAOYSA-N
• XLogP: 11.55
• TPSA: 255.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1228.95
LogP ≤ 5	11.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 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;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide?

The IUPAC name of 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;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide (CID 160567384) is 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;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide.

What is the SMILES notation for 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;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide?

The canonical SMILES for 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;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide is CC1=NCC(C)=C1C(=O)Nc1cnc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.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.

What is the InChIKey of 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;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide?

The InChIKey is RACHPSPVFUFYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N4O3.C19H16F2N4O3.C18H14ClF2N5O3/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;1-9-4-14-15(28-19(20,21)27-14)5-12(9)13-7-24-16(8-23-13)25-18(26)17-10(2)6-22-11(17)3;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/h4-8H,1-3H3,(H,24,25,27);4-5,7-8H,6H2,1-3H3,(H,24,25,26);4-7H,1-3H3,(H,23,24,27).

What are the key properties of 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;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-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;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide has a molecular weight of 1228.95 g/mol, XLogP of 11.55, 9 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 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;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide is sourced from PubChem (CID 160567384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).