6-[[3-(2,2-difluoroethoxy)-5-methyl-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide

C22H25F2N5O5S — CID 171655504

About 6-[[3-(2,2-difluoroethoxy)-5-methyl-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide

6-[[3-(2,2-difluoroethoxy)-5-methyl-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 171655504) has the molecular formula C22H25F2N5O5S and a molecular weight of 509.54 g/mol. Its IUPAC name is 6-[[3-(2,2-difluoroethoxy)-5-methyl-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[[3-(2,2-difluoroethoxy)-5-methyl-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 171655504
• Molecular Formula: C22H25F2N5O5S
• Molecular Weight: 509.54 g/mol
• Exact Mass: 509.15
• IUPAC Name: 6-[[3-(2,2-difluoroethoxy)-5-methyl-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: Cc1cnc(Oc2cc3c(cn2)nc(C(=O)NC2(C)CCS(=O)(=O)CC2)n3C)c(OCC(F)F)c1
• InChI: InChI=1S/C22H25F2N5O5S/c1-13-8-16(33-12-17(23)24)21(26-10-13)34-18-9-15-14(11-25-18)27-19(29(15)3)20(30)28-22(2)4-6-35(31,32)7-5-22/h8-11,17H,4-7,12H2,1-3H3,(H,28,30)
• InChIKey: SOCBVJMERSMESO-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 125.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.54
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2,2-difluoroethoxy)-5-methyl-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of 6-[[3-(2,2-difluoroethoxy)-5-methyl-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide (CID 171655504) is 6-[[3-(2,2-difluoroethoxy)-5-methyl-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for 6-[[3-(2,2-difluoroethoxy)-5-methyl-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for 6-[[3-(2,2-difluoroethoxy)-5-methyl-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide is Cc1cnc(Oc2cc3c(cn2)nc(C(=O)NC2(C)CCS(=O)(=O)CC2)n3C)c(OCC(F)F)c1.

What is the InChIKey of 6-[[3-(2,2-difluoroethoxy)-5-methyl-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is SOCBVJMERSMESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O5S/c1-13-8-16(33-12-17(23)24)21(26-10-13)34-18-9-15-14(11-25-18)27-19(29(15)3)20(30)28-22(2)4-6-35(31,32)7-5-22/h8-11,17H,4-7,12H2,1-3H3,(H,28,30).

What are the key properties of 6-[[3-(2,2-difluoroethoxy)-5-methyl-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide?

6-[[3-(2,2-difluoroethoxy)-5-methyl-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 509.54 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-(2,2-difluoroethoxy)-5-methyl-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 171655504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).