1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

C16H19F3N4O3S — CID 155830634

IUPAC1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1Cc2ncn(C)c2C(C(=O)NCc2cccs2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N4OS.C2HF3O2/c1-17-7-11(13-12(8-17)16-9-18(13)2)14(19)15-6-10-4-3-5-20-10;3-2(4,5)1(6)7/h3-5,9,11H,6-8H2,1-2H3,(H,15,19);(H,6,7)
InChIKeyVBHOQHIHSYLFKB-UHFFFAOYSA-N
MW404.41 g/mol
LogP1.96
Rot. Bonds3

About 1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155830634) has the molecular formula C16H19F3N4O3S and a molecular weight of 404.41 g/mol. Its IUPAC name is 1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155830634
Molecular FormulaC16H19F3N4O3S
Molecular Weight404.41 g/mol
Exact Mass404.11
IUPAC Name1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1Cc2ncn(C)c2C(C(=O)NCc2cccs2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N4OS.C2HF3O2/c1-17-7-11(13-12(8-17)16-9-18(13)2)14(19)15-6-10-4-3-5-20-10;3-2(4,5)1(6)7/h3-5,9,11H,6-8H2,1-2H3,(H,15,19);(H,6,7)
InChIKeyVBHOQHIHSYLFKB-UHFFFAOYSA-N
XLogP1.96
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155830634) is 1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is CN1Cc2ncn(C)c2C(C(=O)NCc2cccs2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is VBHOQHIHSYLFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.C2HF3O2/c1-17-7-11(13-12(8-17)16-9-18(13)2)14(19)15-6-10-4-3-5-20-10;3-2(4,5)1(6)7/h3-5,9,11H,6-8H2,1-2H3,(H,15,19);(H,6,7).
What are the key properties of 1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 404.41 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155830634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).