3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid

C21H22F3N3O4S — CID 154887745

IUPAC3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1coc(-c2n[nH]c3c2CN(Cc2ccc(C4CCCO4)s2)CC3)c1
InChIInChI=1S/C19H21N3O2S.C2HF3O2/c1-3-16(23-9-1)18-6-5-13(25-18)11-22-8-7-15-14(12-22)19(21-20-15)17-4-2-10-24-17;3-2(4,5)1(6)7/h2,4-6,10,16H,1,3,7-9,11-12H2,(H,20,21);(H,6,7)
InChIKeyXWZKJEHVDUBDQK-UHFFFAOYSA-N
MW469.49 g/mol
LogP4.77
Rot. Bonds4

About 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid

3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 154887745) has the molecular formula C21H22F3N3O4S and a molecular weight of 469.49 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID154887745
Molecular FormulaC21H22F3N3O4S
Molecular Weight469.49 g/mol
Exact Mass469.13
IUPAC Name3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1coc(-c2n[nH]c3c2CN(Cc2ccc(C4CCCO4)s2)CC3)c1
InChIInChI=1S/C19H21N3O2S.C2HF3O2/c1-3-16(23-9-1)18-6-5-13(25-18)11-22-8-7-15-14(12-22)19(21-20-15)17-4-2-10-24-17;3-2(4,5)1(6)7/h2,4-6,10,16H,1,3,7-9,11-12H2,(H,20,21);(H,6,7)
InChIKeyXWZKJEHVDUBDQK-UHFFFAOYSA-N
XLogP4.77
TPSA91.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid (CID 154887745) is 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1coc(-c2n[nH]c3c2CN(Cc2ccc(C4CCCO4)s2)CC3)c1.
What is the InChIKey of 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is XWZKJEHVDUBDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S.C2HF3O2/c1-3-16(23-9-1)18-6-5-13(25-18)11-22-8-7-15-14(12-22)19(21-20-15)17-4-2-10-24-17;3-2(4,5)1(6)7/h2,4-6,10,16H,1,3,7-9,11-12H2,(H,20,21);(H,6,7).
What are the key properties of 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 469.49 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154887745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).