6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid

C21H28F3N3O5 — CID 171695888

IUPAC6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCOCC1c2c(cnn2CC2CCOCC2)CCN1Cc1ccoc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N3O3.C2HF3O2/c1-23-14-18-19-17(2-6-21(18)11-16-5-9-25-13-16)10-20-22(19)12-15-3-7-24-8-4-15;3-2(4,5)1(6)7/h5,9-10,13,15,18H,2-4,6-8,11-12,14H2,1H3;(H,6,7)
InChIKeyCNDIKWKTMYRUDZ-UHFFFAOYSA-N
MW459.47 g/mol
LogP3.28
Rot. Bonds6

About 6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid

6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 171695888) has the molecular formula C21H28F3N3O5 and a molecular weight of 459.47 g/mol. Its IUPAC name is 6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID171695888
Molecular FormulaC21H28F3N3O5
Molecular Weight459.47 g/mol
Exact Mass459.20
IUPAC Name6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCOCC1c2c(cnn2CC2CCOCC2)CCN1Cc1ccoc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N3O3.C2HF3O2/c1-23-14-18-19-17(2-6-21(18)11-16-5-9-25-13-16)10-20-22(19)12-15-3-7-24-8-4-15;3-2(4,5)1(6)7/h5,9-10,13,15,18H,2-4,6-8,11-12,14H2,1H3;(H,6,7)
InChIKeyCNDIKWKTMYRUDZ-UHFFFAOYSA-N
XLogP3.28
TPSA89.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(methoxymethyl)-6-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 131658350
3-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 118745961
(7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97368018
1-[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155862425
5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155850122
5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 171696735
(7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97390545
1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-fluorophenyl)ethanone
CID 97368015
5-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
CID 134072108
5-(furan-3-ylmethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828384
7-(cyclopropylmethoxymethyl)-5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155861331
2-methoxy-1-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
CID 131644403

Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid (CID 171695888) is 6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid is COCC1c2c(cnn2CC2CCOCC2)CCN1Cc1ccoc1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is CNDIKWKTMYRUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.C2HF3O2/c1-23-14-18-19-17(2-6-21(18)11-16-5-9-25-13-16)10-20-22(19)12-15-3-7-24-8-4-15;3-2(4,5)1(6)7/h5,9-10,13,15,18H,2-4,6-8,11-12,14H2,1H3;(H,6,7).
What are the key properties of 6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 459.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171695888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).