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)

C24H28F9N5O8 — CID 171685869

IUPACN,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)
SMILESCN(C)C(=O)COCC1CN(Cc2ccncc2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N5O2.3C2HF3O2/c1-21(2)17(24)12-25-11-15-9-23(8-14-4-6-19-7-5-14)10-16-18(15)22(3)13-20-16;3*3-2(4,5)1(6)7/h4-7,13,15H,8-12H2,1-3H3;3*(H,6,7)
InChIKeyGSTMAYJLWSIEDR-UHFFFAOYSA-N
MW685.50 g/mol
LogP2.92
Rot. Bonds6

About 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)

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) (PubChem CID 171685869) has the molecular formula C24H28F9N5O8 and a molecular weight of 685.50 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound NameN,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)
PubChem CID171685869
Molecular FormulaC24H28F9N5O8
Molecular Weight685.50 g/mol
Exact Mass685.18
IUPAC NameN,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)
SMILESCN(C)C(=O)COCC1CN(Cc2ccncc2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N5O2.3C2HF3O2/c1-21(2)17(24)12-25-11-15-9-23(8-14-4-6-19-7-5-14)10-16-18(15)22(3)13-20-16;3*3-2(4,5)1(6)7/h4-7,13,15H,8-12H2,1-3H3;3*(H,6,7)
InChIKeyGSTMAYJLWSIEDR-UHFFFAOYSA-N
XLogP2.92
TPSA175.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500685.50
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CN(C)C(=O)COCC1CN(Cc2ccncc2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 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)?
The InChIKey is GSTMAYJLWSIEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.3C2HF3O2/c1-21(2)17(24)12-25-11-15-9-23(8-14-4-6-19-7-5-14)10-16-18(15)22(3)13-20-16;3*3-2(4,5)1(6)7/h4-7,13,15H,8-12H2,1-3H3;3*(H,6,7).
What are the key properties of 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)?
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) has a molecular weight of 685.50 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 171685869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).