N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C18H20F3N7O3 — CID 166310300

IUPACN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)c1ncc(CNC(=O)c2cncc(-c3ccn[nH]3)c2)n1C.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19N7O.C2HF3O2/c1-22(2)16-19-10-13(23(16)3)9-18-15(24)12-6-11(7-17-8-12)14-4-5-20-21-14;3-2(4,5)1(6)7/h4-8,10H,9H2,1-3H3,(H,18,24)(H,20,21);(H,6,7)
InChIKeyVJZUBYHXVZYBJX-UHFFFAOYSA-N
MW439.40 g/mol
LogP1.83
Rot. Bonds5

About N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166310300) has the molecular formula C18H20F3N7O3 and a molecular weight of 439.40 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166310300
Molecular FormulaC18H20F3N7O3
Molecular Weight439.40 g/mol
Exact Mass439.16
IUPAC NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)c1ncc(CNC(=O)c2cncc(-c3ccn[nH]3)c2)n1C.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19N7O.C2HF3O2/c1-22(2)16-19-10-13(23(16)3)9-18-15(24)12-6-11(7-17-8-12)14-4-5-20-21-14;3-2(4,5)1(6)7/h4-8,10H,9H2,1-3H3,(H,18,24)(H,20,21);(H,6,7)
InChIKeyVJZUBYHXVZYBJX-UHFFFAOYSA-N
XLogP1.83
TPSA129.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 166310300) is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is CN(C)c1ncc(CNC(=O)c2cncc(-c3ccn[nH]3)c2)n1C.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is VJZUBYHXVZYBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O.C2HF3O2/c1-22(2)16-19-10-13(23(16)3)9-18-15(24)12-6-11(7-17-8-12)14-4-5-20-21-14;3-2(4,5)1(6)7/h4-8,10H,9H2,1-3H3,(H,18,24)(H,20,21);(H,6,7).
What are the key properties of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 439.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166310300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).