N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide

C67H46F8N16O15S — CID 159583366

About N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 159583366) has the molecular formula C67H46F8N16O15S and a molecular weight of 1499.25 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide
• PubChem CID: 159583366
• Molecular Formula: C67H46F8N16O15S
• Molecular Weight: 1499.25 g/mol
• Exact Mass: 1498.29
• IUPAC Name: N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide
• SMILES: COc1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1.COc1ccnc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cncc(-c2cccs2)c1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cncc(N2CCOCC2)c1
• InChI: InChI=1S/C19H11F2N3O3S.C18H15F2N5O4.2C15H10F2N4O4/c20-19(21)26-14-5-10-6-17(23-13(10)7-15(14)27-19)24-18(25)12-4-11(8-22-9-12)16-2-1-3-28-16;19-18(20)28-14-6-12-13(7-15(14)29-18)23-17(22-12)24-16(26)10-5-11(9-21-8-10)25-1-3-27-4-2-25;1-23-7-2-3-18-10(4-7)13(22)21-14-19-8-5-11-12(6-9(8)20-14)25-15(16,17)24-11;1-23-12-4-2-3-7(18-12)13(22)21-14-19-8-5-10-11(6-9(8)20-14)25-15(16,17)24-10/h1-5,7-9H,6H2,(H,23,24,25);5-9H,1-4H2,(H2,22,23,24,26);2*2-6H,1H3,(H2,19,20,21,22)
• InChIKey: MJHKZZNVGZUVJI-UHFFFAOYSA-N
• XLogP: 11.60
• TPSA: 371.13 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 11
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1499.25
LogP ≤ 5	11.60
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide?

The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide (CID 159583366) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide.

What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide?

The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide is COc1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1.COc1ccnc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cncc(-c2cccs2)c1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cncc(N2CCOCC2)c1.

What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide?

The InChIKey is MJHKZZNVGZUVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N3O3S.C18H15F2N5O4.2C15H10F2N4O4/c20-19(21)26-14-5-10-6-17(23-13(10)7-15(14)27-19)24-18(25)12-4-11(8-22-9-12)16-2-1-3-28-16;19-18(20)28-14-6-12-13(7-15(14)29-18)23-17(22-12)24-16(26)10-5-11(9-21-8-10)25-1-3-27-4-2-25;1-23-7-2-3-18-10(4-7)13(22)21-14-19-8-5-11-12(6-9(8)20-14)25-15(16,17)24-11;1-23-12-4-2-3-7(18-12)13(22)21-14-19-8-5-10-11(6-9(8)20-14)25-15(16,17)24-10/h1-5,7-9H,6H2,(H,23,24,25);5-9H,1-4H2,(H2,22,23,24,26);2*2-6H,1H3,(H2,19,20,21,22).

What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide?

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 1499.25 g/mol, XLogP of 11.60, 11 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 159583366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).