(3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone;2,2,2-trifluoroacetic acid

C19H21F5N4O4 — CID 155862320

About (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone;2,2,2-trifluoroacetic acid

(3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155862320) has the molecular formula C19H21F5N4O4 and a molecular weight of 464.39 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155862320
• Molecular Formula: C19H21F5N4O4
• Molecular Weight: 464.39 g/mol
• Exact Mass: 464.15
• IUPAC Name: (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: Cc1ccc(CN2Cc3ncn(C)c3C(C(=O)N3CC(F)(F)C3)C2)o1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H20F2N4O2.C2HF3O2/c1-11-3-4-12(25-11)5-22-6-13(15-14(7-22)20-10-21(15)2)16(24)23-8-17(18,19)9-23;3-2(4,5)1(6)7/h3-4,10,13H,5-9H2,1-2H3;(H,6,7)
• InChIKey: WGEOGQFWFPQFIC-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 91.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.39
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone;2,2,2-trifluoroacetic acid (CID 155862320) is (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone;2,2,2-trifluoroacetic acid is Cc1ccc(CN2Cc3ncn(C)c3C(C(=O)N3CC(F)(F)C3)C2)o1.O=C(O)C(F)(F)F.

What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone;2,2,2-trifluoroacetic acid?

The InChIKey is WGEOGQFWFPQFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2.C2HF3O2/c1-11-3-4-12(25-11)5-22-6-13(15-14(7-22)20-10-21(15)2)16(24)23-8-17(18,19)9-23;3-2(4,5)1(6)7/h3-4,10,13H,5-9H2,1-2H3;(H,6,7).

What are the key properties of (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone;2,2,2-trifluoroacetic acid?

(3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 464.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155862320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).