1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid

C18H29F3N4O4 — CID 118742510

IUPAC1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid
SMILESCCOCC(=O)N1CCc2c(CN(C)C)nn(C(C)C)c2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H28N4O2.C2HF3O2/c1-6-22-11-16(21)19-8-7-13-14(9-18(4)5)17-20(12(2)3)15(13)10-19;3-2(4,5)1(6)7/h12H,6-11H2,1-5H3;(H,6,7)
InChIKeyLXLJSBGVJNKDFV-UHFFFAOYSA-N
MW422.45 g/mol
LogP2.08
Rot. Bonds6

About 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid

1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid (PubChem CID 118742510) has the molecular formula C18H29F3N4O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid
PubChem CID118742510
Molecular FormulaC18H29F3N4O4
Molecular Weight422.45 g/mol
Exact Mass422.21
IUPAC Name1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid
SMILESCCOCC(=O)N1CCc2c(CN(C)C)nn(C(C)C)c2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H28N4O2.C2HF3O2/c1-6-22-11-16(21)19-8-7-13-14(9-18(4)5)17-20(12(2)3)15(13)10-19;3-2(4,5)1(6)7/h12H,6-11H2,1-5H3;(H,6,7)
InChIKeyLXLJSBGVJNKDFV-UHFFFAOYSA-N
XLogP2.08
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;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

1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone
CID 97405045
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118742494
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118742511
(1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118744857
1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 118745626
1-Carboxymethyl-3-trifluoromethyl-1,4,5,7-tetrahydro-pyrazolo[3,4-C]pyridine-6-carboxylic acid tert-butyl ester
CID 66873955
1-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 66874426
1-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 66874456
tert-Butyl 1-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 66874650
tert-Butyl 1-(2-ethoxy-2-oxoethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 66874752
3,3,3-Trifluoro-1-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]propan-1-one
CID 109930414
4-[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 119216551

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid (CID 118742510) is 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid is CCOCC(=O)N1CCc2c(CN(C)C)nn(C(C)C)c2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid?
The InChIKey is LXLJSBGVJNKDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2.C2HF3O2/c1-6-22-11-16(21)19-8-7-13-14(9-18(4)5)17-20(12(2)3)15(13)10-19;3-2(4,5)1(6)7/h12H,6-11H2,1-5H3;(H,6,7).
What are the key properties of 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid?
1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid has a molecular weight of 422.45 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).