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

C20H23F3N4O5 — CID 155851898

IUPAC5-(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
SMILESCN(C)C(=O)C1CN(Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N4O3.C2HF3O2/c1-20(2)18(23)13-8-22(9-14-17(13)21(3)10-19-14)7-12-4-5-15-16(6-12)25-11-24-15;3-2(4,5)1(6)7/h4-6,10,13H,7-9,11H2,1-3H3;(H,6,7)
InChIKeyYAFYHQXGTTXLRG-UHFFFAOYSA-N
MW456.42 g/mol
LogP1.97
Rot. Bonds3

About 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

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 (PubChem CID 155851898) has the molecular formula C20H23F3N4O5 and a molecular weight of 456.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID155851898
Molecular FormulaC20H23F3N4O5
Molecular Weight456.42 g/mol
Exact Mass456.16
IUPAC Name5-(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
SMILESCN(C)C(=O)C1CN(Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N4O3.C2HF3O2/c1-20(2)18(23)13-8-22(9-14-17(13)21(3)10-19-14)7-12-4-5-15-16(6-12)25-11-24-15;3-2(4,5)1(6)7/h4-6,10,13H,7-9,11H2,1-3H3;(H,6,7)
InChIKeyYAFYHQXGTTXLRG-UHFFFAOYSA-N
XLogP1.97
TPSA97.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

(7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 124806479
5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739314
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
[5-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol;2,2,2-trifluoroacetic acid
CID 155866848
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
5-(1,3-benzodioxol-5-ylmethyl)-6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 155866769
2-[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155847601
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
[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
1-[7-(1,3-benzodioxol-5-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155844851
4-(1,3-benzodioxol-5-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155827597

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C(=O)C1CN(Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is YAFYHQXGTTXLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.C2HF3O2/c1-20(2)18(23)13-8-22(9-14-17(13)21(3)10-19-14)7-12-4-5-15-16(6-12)25-11-24-15;3-2(4,5)1(6)7/h4-6,10,13H,7-9,11H2,1-3H3;(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 456.42 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155851898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).