2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)

C21H26F6N4O7 — CID 118746024

IUPAC2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C(=O)COCC1CN(Cc2ccoc2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4O3.2C2HF3O2/c1-19(2)16(22)11-24-10-14-7-21(6-13-4-5-23-9-13)8-15-17(14)20(3)12-18-15;2*3-2(4,5)1(6)7/h4-5,9,12,14H,6-8,10-11H2,1-3H3;2*(H,6,7)
InChIKeyYZIMMAAPBXFPKR-UHFFFAOYSA-N
MW560.45 g/mol
LogP2.48
Rot. Bonds6

About 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)

2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746024) has the molecular formula C21H26F6N4O7 and a molecular weight of 560.45 g/mol. Its IUPAC name is 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746024
Molecular FormulaC21H26F6N4O7
Molecular Weight560.45 g/mol
Exact Mass560.17
IUPAC Name2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C(=O)COCC1CN(Cc2ccoc2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4O3.2C2HF3O2/c1-19(2)16(22)11-24-10-14-7-21(6-13-4-5-23-9-13)8-15-17(14)20(3)12-18-15;2*3-2(4,5)1(6)7/h4-5,9,12,14H,6-8,10-11H2,1-3H3;2*(H,6,7)
InChIKeyYZIMMAAPBXFPKR-UHFFFAOYSA-N
XLogP2.48
TPSA138.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) (CID 118746024) is 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) is CN(C)C(=O)COCC1CN(Cc2ccoc2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is YZIMMAAPBXFPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3.2C2HF3O2/c1-19(2)16(22)11-24-10-14-7-21(6-13-4-5-23-9-13)8-15-17(14)20(3)12-18-15;2*3-2(4,5)1(6)7/h4-5,9,12,14H,6-8,10-11H2,1-3H3;2*(H,6,7).
What are the key properties of 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)?
2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 560.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).