5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine

C92H66Cl3F17N12O10 — CID 157228140

About 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine (PubChem CID 157228140) has the molecular formula C92H66Cl3F17N12O10 and a molecular weight of 1930.95 g/mol. Its IUPAC name is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
• PubChem CID: 157228140
• Molecular Formula: C92H66Cl3F17N12O10
• Molecular Weight: 1930.95 g/mol
• Exact Mass: 1928.39
• IUPAC Name: 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
• SMILES: CC(C)CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)OC(F)(F)O2.FC1=CCCC=C1CNc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Fc1cccc(F)c1CNc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.[2H]C([2H])(Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1)c1c(F)cccc1F
• InChI: InChI=1S/2C20H14F4N2O2.C18H10ClF4N3O2.C18H13ClF3N3O2.C16H15ClF2N2O2/c2*1-11-7-17-18(28-20(23,24)27-17)8-13(11)12-5-6-19(25-9-12)26-10-14-15(21)3-2-4-16(14)22;19-11-5-16-15(27-18(22,23)28-16)4-9(11)14-7-26-17(8-24-14)25-6-10-12(20)2-1-3-13(10)21;19-12-6-16-15(26-18(21,22)27-16)5-11(12)14-8-25-17(9-23-14)24-7-10-3-1-2-4-13(10)20;1-9(2)7-20-15-4-3-10(8-21-15)11-5-13-14(6-12(11)17)23-16(18,19)22-13/h2*2-9H,10H2,1H3,(H,25,26);1-5,7-8H,6H2,(H,25,26);3-6,8-9H,1-2,7H2,(H,24,25);3-6,8-9H,7H2,1-2H3,(H,20,21)/i10D2
• InChIKey: ATUDKKFHXBHENU-FVDFOYRPSA-N
• XLogP: 25.44
• TPSA: 242.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1930.95
LogP ≤ 5	25.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?

The IUPAC name of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine (CID 157228140) is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine.

What is the SMILES notation for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?

The canonical SMILES for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine is CC(C)CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)OC(F)(F)O2.FC1=CCCC=C1CNc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Fc1cccc(F)c1CNc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.[2H]C([2H])(Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1)c1c(F)cccc1F.

What is the InChIKey of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?

The InChIKey is ATUDKKFHXBHENU-FVDFOYRPSA-N. The full InChI is InChI=1S/2C20H14F4N2O2.C18H10ClF4N3O2.C18H13ClF3N3O2.C16H15ClF2N2O2/c2*1-11-7-17-18(28-20(23,24)27-17)8-13(11)12-5-6-19(25-9-12)26-10-14-15(21)3-2-4-16(14)22;19-11-5-16-15(27-18(22,23)28-16)4-9(11)14-7-26-17(8-24-14)25-6-10-12(20)2-1-3-13(10)21;19-12-6-16-15(26-18(21,22)27-16)5-11(12)14-8-25-17(9-23-14)24-7-10-3-1-2-4-13(10)20;1-9(2)7-20-15-4-3-10(8-21-15)11-5-13-14(6-12(11)17)23-16(18,19)22-13/h2*2-9H,10H2,1H3,(H,25,26);1-5,7-8H,6H2,(H,25,26);3-6,8-9H,1-2,7H2,(H,24,25);3-6,8-9H,7H2,1-2H3,(H,20,21)/i10D2;;;;.

What are the key properties of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine has a molecular weight of 1930.95 g/mol, XLogP of 25.44, 20 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 157228140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).