3-[2-[[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxymethyl]cyclopropyl]-N-[2-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide

C40H33F7N8O4 — CID 155010162

About 3-[2-[[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxymethyl]cyclopropyl]-N-[2-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide

3-[2-[[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxymethyl]cyclopropyl]-N-[2-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide (PubChem CID 155010162) has the molecular formula C40H33F7N8O4 and a molecular weight of 822.74 g/mol. Its IUPAC name is 3-[2-[[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxymethyl]cyclopropyl]-N-[2-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[2-[[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxymethyl]cyclopropyl]-N-[2-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide
• PubChem CID: 155010162
• Molecular Formula: C40H33F7N8O4
• Molecular Weight: 822.74 g/mol
• Exact Mass: 822.25
• IUPAC Name: 3-[2-[[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxymethyl]cyclopropyl]-N-[2-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide
• SMILES: O=C(Nc1cn2cc(C3CC3)nc2cc1OCC1CC1c1ccc(C(F)F)nc1C(=O)Nc1cn2cc(C3CC3)nc2cc1OCC(F)(F)F)c1cccc(C(F)F)n1
• InChI: InChI=1S/C40H33F7N8O4/c41-36(42)24-2-1-3-26(48-24)38(56)52-29-15-54-13-27(19-4-5-19)49-33(54)11-31(29)58-17-21-10-23(21)22-8-9-25(37(43)44)51-35(22)39(57)53-30-16-55-14-28(20-6-7-20)50-34(55)12-32(30)59-18-40(45,46)47/h1-3,8-9,11-16,19-21,23,36-37H,4-7,10,17-18H2,(H,52,56)(H,53,57)
• InChIKey: VOTOWIAKVABCHF-UHFFFAOYSA-N
• XLogP: 9.03
• TPSA: 137.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.74
LogP ≤ 5	9.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxymethyl]cyclopropyl]-N-[2-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide?

The IUPAC name of 3-[2-[[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxymethyl]cyclopropyl]-N-[2-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide (CID 155010162) is 3-[2-[[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxymethyl]cyclopropyl]-N-[2-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for 3-[2-[[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxymethyl]cyclopropyl]-N-[2-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for 3-[2-[[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxymethyl]cyclopropyl]-N-[2-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide is O=C(Nc1cn2cc(C3CC3)nc2cc1OCC1CC1c1ccc(C(F)F)nc1C(=O)Nc1cn2cc(C3CC3)nc2cc1OCC(F)(F)F)c1cccc(C(F)F)n1.

What is the InChIKey of 3-[2-[[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxymethyl]cyclopropyl]-N-[2-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide?

The InChIKey is VOTOWIAKVABCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33F7N8O4/c41-36(42)24-2-1-3-26(48-24)38(56)52-29-15-54-13-27(19-4-5-19)49-33(54)11-31(29)58-17-21-10-23(21)22-8-9-25(37(43)44)51-35(22)39(57)53-30-16-55-14-28(20-6-7-20)50-34(55)12-32(30)59-18-40(45,46)47/h1-3,8-9,11-16,19-21,23,36-37H,4-7,10,17-18H2,(H,52,56)(H,53,57).

What are the key properties of 3-[2-[[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxymethyl]cyclopropyl]-N-[2-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide?

3-[2-[[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxymethyl]cyclopropyl]-N-[2-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide has a molecular weight of 822.74 g/mol, XLogP of 9.03, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxymethyl]cyclopropyl]-N-[2-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155010162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).