6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid

C20H25ClF3N3O4 — CID 171694369

IUPAC6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCCOCC1CN(CCOc2ccc(Cl)cc2)Cc2c1cnn2C.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24ClN3O2.C2HF3O2/c1-3-23-13-14-11-22(12-18-17(14)10-20-21(18)2)8-9-24-16-6-4-15(19)5-7-16;3-2(4,5)1(6)7/h4-7,10,14H,3,8-9,11-13H2,1-2H3;(H,6,7)
InChIKeyBQZNNCMTUCXKPP-UHFFFAOYSA-N
MW463.88 g/mol
LogP3.72
Rot. Bonds7

About 6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid

6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 171694369) has the molecular formula C20H25ClF3N3O4 and a molecular weight of 463.88 g/mol. Its IUPAC name is 6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID171694369
Molecular FormulaC20H25ClF3N3O4
Molecular Weight463.88 g/mol
Exact Mass463.15
IUPAC Name6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCCOCC1CN(CCOc2ccc(Cl)cc2)Cc2c1cnn2C.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24ClN3O2.C2HF3O2/c1-3-23-13-14-11-22(12-18-17(14)10-20-21(18)2)8-9-24-16-6-4-15(19)5-7-16;3-2(4,5)1(6)7/h4-7,10,14H,3,8-9,11-13H2,1-2H3;(H,6,7)
InChIKeyBQZNNCMTUCXKPP-UHFFFAOYSA-N
XLogP3.72
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.88
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(ethoxymethyl)-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155832657
4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 118745467
3-(4-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine;2,2,2-trifluoroacetic acid
CID 69241814
1-ethyl-4-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155862420
1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol
CID 63091463
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
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1-[1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]piperidin-4-yl]-2,2,2-trifluoroethanone
CID 11497172
2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid (CID 171694369) is 6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid is CCOCC1CN(CCOc2ccc(Cl)cc2)Cc2c1cnn2C.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is BQZNNCMTUCXKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2.C2HF3O2/c1-3-23-13-14-11-22(12-18-17(14)10-20-21(18)2)8-9-24-16-6-4-15(19)5-7-16;3-2(4,5)1(6)7/h4-7,10,14H,3,8-9,11-13H2,1-2H3;(H,6,7).
What are the key properties of 6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 463.88 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171694369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).