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

C18H25F3N4O3S — CID 171695067

IUPAC4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCCOCC1CN(Cc2csc(C)n2)Cc2cnn(CC)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N4OS.C2HF3O2/c1-4-20-16-13(6-17-20)7-19(8-14(16)10-21-5-2)9-15-11-22-12(3)18-15;3-2(4,5)1(6)7/h6,11,14H,4-5,7-10H2,1-3H3;(H,6,7)
InChIKeyYRHTZWHYQMCIFE-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.44
Rot. Bonds6

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

4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid (PubChem CID 171695067) has the molecular formula C18H25F3N4O3S and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
PubChem CID171695067
Molecular FormulaC18H25F3N4O3S
Molecular Weight434.48 g/mol
Exact Mass434.16
IUPAC Name4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCCOCC1CN(Cc2csc(C)n2)Cc2cnn(CC)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N4OS.C2HF3O2/c1-4-20-16-13(6-17-20)7-19(8-14(16)10-21-5-2)9-15-11-22-12(3)18-15;3-2(4,5)1(6)7/h6,11,14H,4-5,7-10H2,1-3H3;(H,6,7)
InChIKeyYRHTZWHYQMCIFE-UHFFFAOYSA-N
XLogP3.44
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole
CID 131659876
5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155845265
1-ethyl-5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118745885
7-(ethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746835
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-methyl-4-[[2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155845880
2-[(1S)-cyclopent-2-en-1-yl]-1-[(7R)-7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
CID 97415430
(7R)-7-(ethoxymethyl)-1-ethyl-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-sulfonamide
CID 97468480
(7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 97382785
1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 134076240
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
1,4-dimethyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one;tris(2,2,2-trifluoroacetic acid)
CID 118747161

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid (CID 171695067) is 4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid is CCOCC1CN(Cc2csc(C)n2)Cc2cnn(CC)c21.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The InChIKey is YRHTZWHYQMCIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS.C2HF3O2/c1-4-20-16-13(6-17-20)7-19(8-14(16)10-21-5-2)9-15-11-22-12(3)18-15;3-2(4,5)1(6)7/h6,11,14H,4-5,7-10H2,1-3H3;(H,6,7).
What are the key properties of 4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid has a molecular weight of 434.48 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171695067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).