4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid

C16H15F3N4O2S2 — CID 154892098

IUPAC4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1csc(-c2nc(CN3CCc4[nH]ncc4C3)cs2)c1
InChIInChI=1S/C14H14N4S2.C2HF3O2/c1-2-13(19-5-1)14-16-11(9-20-14)8-18-4-3-12-10(7-18)6-15-17-12;3-2(4,5)1(6)7/h1-2,5-6,9H,3-4,7-8H2,(H,15,17);(H,6,7)
InChIKeyACYFMGUJSXIJOX-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.79
Rot. Bonds3

About 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid

4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid (PubChem CID 154892098) has the molecular formula C16H15F3N4O2S2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid
PubChem CID154892098
Molecular FormulaC16H15F3N4O2S2
Molecular Weight416.45 g/mol
Exact Mass416.06
IUPAC Name4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1csc(-c2nc(CN3CCc4[nH]ncc4C3)cs2)c1
InChIInChI=1S/C14H14N4S2.C2HF3O2/c1-2-13(19-5-1)14-16-11(9-20-14)8-18-4-3-12-10(7-18)6-15-17-12;3-2(4,5)1(6)7/h1-2,5-6,9H,3-4,7-8H2,(H,15,17);(H,6,7)
InChIKeyACYFMGUJSXIJOX-UHFFFAOYSA-N
XLogP3.79
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[(4-ethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 171686496
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
CID 51178058
tert-butyl 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxylate
CID 78903563
2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 46807557
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine;2,2,2-trifluoroacetic acid
CID 166274910
4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
CID 46563115
(2R)-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119914241
2-thiophen-2-yl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 46615207
2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
CID 116889272
1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 111113942
4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole
CID 120968486
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 78903013

Frequently Asked Questions

What is the IUPAC name of 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid (CID 154892098) is 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1csc(-c2nc(CN3CCc4[nH]ncc4C3)cs2)c1.
What is the InChIKey of 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The InChIKey is ACYFMGUJSXIJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2.C2HF3O2/c1-2-13(19-5-1)14-16-11(9-20-14)8-18-4-3-12-10(7-18)6-15-17-12;3-2(4,5)1(6)7/h1-2,5-6,9H,3-4,7-8H2,(H,15,17);(H,6,7).
What are the key properties of 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid?
4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid has a molecular weight of 416.45 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154892098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).