4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid

C17H24F3N5O3 — CID 118745467

IUPAC4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCCOCC1CN(Cc2cnn(C)c2)Cc2nn(C)cc21.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N5O.C2HF3O2/c1-4-21-11-13-8-20(7-12-5-16-18(2)6-12)10-15-14(13)9-19(3)17-15;3-2(4,5)1(6)7/h5-6,9,13H,4,7-8,10-11H2,1-3H3;(H,6,7)
InChIKeyMNFSEMHNIAWEPA-UHFFFAOYSA-N
MW403.41 g/mol
LogP1.92
Rot. Bonds5

About 4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid

4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 118745467) has the molecular formula C17H24F3N5O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID118745467
Molecular FormulaC17H24F3N5O3
Molecular Weight403.41 g/mol
Exact Mass403.18
IUPAC Name4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCCOCC1CN(Cc2cnn(C)c2)Cc2nn(C)cc21.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N5O.C2HF3O2/c1-4-21-11-13-8-20(7-12-5-16-18(2)6-12)10-15-14(13)9-19(3)17-15;3-2(4,5)1(6)7/h5-6,9,13H,4,7-8,10-11H2,1-3H3;(H,6,7)
InChIKeyMNFSEMHNIAWEPA-UHFFFAOYSA-N
XLogP1.92
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-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

4-(ethoxymethyl)-2-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 155834986
[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118744168
7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 155845445
1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 155842050
6-(furan-2-ylmethyl)-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 155829954
4-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 118745407
4-(ethoxymethyl)-2-methyl-6-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 131652990
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
2-(cyclopropylmethyl)-4-(methoxymethyl)-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746695
2-(cyclopropylmethyl)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 155828740
(4S)-6-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 97383003
6-(cyclopropylmethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155832789

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 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) is 4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid is CCOCC1CN(Cc2cnn(C)c2)Cc2nn(C)cc21.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is MNFSEMHNIAWEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O.C2HF3O2/c1-4-21-11-13-8-20(7-12-5-16-18(2)6-12)10-15-14(13)9-19(3)17-15;3-2(4,5)1(6)7/h5-6,9,13H,4,7-8,10-11H2,1-3H3;(H,6,7).
What are the key properties of 4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid?
4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 403.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-2-methyl-6-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118745467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).