N,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C17H21F3N4O4 — CID 118742233

IUPACN,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCc3[nH]nc(C(=O)N(C)C)c3C2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H20N4O2.C2HF3O2/c1-10-4-5-11(21-10)8-19-7-6-13-12(9-19)14(17-16-13)15(20)18(2)3;3-2(4,5)1(6)7/h4-5H,6-9H2,1-3H3,(H,16,17);(H,6,7)
InChIKeyMURSQGNJRMEXFX-UHFFFAOYSA-N
MW402.37 g/mol
LogP2.20
Rot. Bonds3

About N,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118742233) has the molecular formula C17H21F3N4O4 and a molecular weight of 402.37 g/mol. Its IUPAC name is N,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118742233
Molecular FormulaC17H21F3N4O4
Molecular Weight402.37 g/mol
Exact Mass402.15
IUPAC NameN,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCc3[nH]nc(C(=O)N(C)C)c3C2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H20N4O2.C2HF3O2/c1-10-4-5-11(21-10)8-19-7-6-13-12(9-19)14(17-16-13)15(20)18(2)3;3-2(4,5)1(6)7/h4-5H,6-9H2,1-3H3,(H,16,17);(H,6,7)
InChIKeyMURSQGNJRMEXFX-UHFFFAOYSA-N
XLogP2.20
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 118742233) is N,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccc(CN2CCc3[nH]nc(C(=O)N(C)C)c3C2)o1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MURSQGNJRMEXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.C2HF3O2/c1-10-4-5-11(21-10)8-19-7-6-13-12(9-19)14(17-16-13)15(20)18(2)3;3-2(4,5)1(6)7/h4-5H,6-9H2,1-3H3,(H,16,17);(H,6,7).
What are the key properties of N,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 402.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).