3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid

C23H20F5N3O3 — CID 154887982

IUPAC3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
SMILESFc1ccc(-c2n[nH]c3c2CN(Cc2ccc4c(c2)CCO4)CC3)c(F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H19F2N3O.C2HF3O2/c22-15-2-3-16(18(23)10-15)21-17-12-26(7-5-19(17)24-25-21)11-13-1-4-20-14(9-13)6-8-27-20;3-2(4,5)1(6)7/h1-4,9-10H,5-8,11-12H2,(H,24,25);(H,6,7)
InChIKeyOFITZEISANAYLJ-UHFFFAOYSA-N
MW481.42 g/mol
LogP4.48
Rot. Bonds3

About 3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid

3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 154887982) has the molecular formula C23H20F5N3O3 and a molecular weight of 481.42 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID154887982
Molecular FormulaC23H20F5N3O3
Molecular Weight481.42 g/mol
Exact Mass481.14
IUPAC Name3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
SMILESFc1ccc(-c2n[nH]c3c2CN(Cc2ccc4c(c2)CCO4)CC3)c(F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H19F2N3O.C2HF3O2/c22-15-2-3-16(18(23)10-15)21-17-12-26(7-5-19(17)24-25-21)11-13-1-4-20-14(9-13)6-8-27-20;3-2(4,5)1(6)7/h1-4,9-10H,5-8,11-12H2,(H,24,25);(H,6,7)
InChIKeyOFITZEISANAYLJ-UHFFFAOYSA-N
XLogP4.48
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.42
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1,3-benzodioxol-5-yl-[3-(2,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 30897012
N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide
CID 42517587
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9126457
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 55650266
1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone
CID 31016341
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoacetamide
CID 167951476
3-[2-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]-1,3-benzoxazol-2-one;2,2,2-trifluoroacetic acid
CID 154884638
[1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 154887006
5-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 16668262
3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide
CID 55471071
4-[[3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,1,3-benzoxadiazole;2,2,2-trifluoroacetic acid
CID 154889343
2-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetic acid
CID 119906302

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid (CID 154887982) is 3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid is Fc1ccc(-c2n[nH]c3c2CN(Cc2ccc4c(c2)CCO4)CC3)c(F)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is OFITZEISANAYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O.C2HF3O2/c22-15-2-3-16(18(23)10-15)21-17-12-26(7-5-19(17)24-25-21)11-13-1-4-20-14(9-13)6-8-27-20;3-2(4,5)1(6)7/h1-4,9-10H,5-8,11-12H2,(H,24,25);(H,6,7).
What are the key properties of 3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 481.42 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154887982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).