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

C20H23F3N4O3 — CID 155864440

IUPACazetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCn1cnc2c1C(C(=O)N1CCC1)CN(Cc1ccccc1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N4O.C2HF3O2/c1-20-13-19-16-12-21(10-14-6-3-2-4-7-14)11-15(17(16)20)18(23)22-8-5-9-22;3-2(4,5)1(6)7/h2-4,6-7,13,15H,5,8-12H2,1H3;(H,6,7)
InChIKeyGCVYHKVLSBNMMH-UHFFFAOYSA-N
MW424.42 g/mol
LogP2.39
Rot. Bonds3

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

azetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155864440) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is azetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameazetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155864440
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC Nameazetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCn1cnc2c1C(C(=O)N1CCC1)CN(Cc1ccccc1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N4O.C2HF3O2/c1-20-13-19-16-12-21(10-14-6-3-2-4-7-14)11-15(17(16)20)18(23)22-8-5-9-22;3-2(4,5)1(6)7/h2-4,6-7,13,15H,5,8-12H2,1H3;(H,6,7)
InChIKeyGCVYHKVLSBNMMH-UHFFFAOYSA-N
XLogP2.39
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze azetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155863348
azetidin-1-yl-[(7S)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 124810347
2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 124811729
5-benzyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155863122
(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
azetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 131652015
5-(1,3-benzodioxol-5-ylmethyl)-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155851898
5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155834456
(7R)-5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-amine
CID 125480994
5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-amine
CID 118115842
N,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;tris(2,2,2-trifluoroacetic acid)
CID 171685869
[(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
CID 124806638

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of azetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid (CID 155864440) is azetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for azetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for azetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid is Cn1cnc2c1C(C(=O)N1CCC1)CN(Cc1ccccc1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of azetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is GCVYHKVLSBNMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O.C2HF3O2/c1-20-13-19-16-12-21(10-14-6-3-2-4-7-14)11-15(17(16)20)18(23)22-8-5-9-22;3-2(4,5)1(6)7/h2-4,6-7,13,15H,5,8-12H2,1H3;(H,6,7).
What are the key properties of azetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid?
azetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 424.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155864440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).