6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine

C23H21F3N8S — CID 163566989

IUPAC6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc2ncc(SCn3ncc4ncc(-c5cnn(C6CCNCC6)c5)cc43)n2c1
InChIInChI=1S/C23H21F3N8S/c24-23(25,26)17-1-2-21-29-11-22(32(21)13-17)35-14-34-20-7-15(8-28-19(20)10-31-34)16-9-30-33(12-16)18-3-5-27-6-4-18/h1-2,7-13,18,27H,3-6,14H2
InChIKeyFWBCLYDLZAKCFT-UHFFFAOYSA-N
MW498.54 g/mol
LogP4.64
Rot. Bonds5

About 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine

6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine (PubChem CID 163566989) has the molecular formula C23H21F3N8S and a molecular weight of 498.54 g/mol. Its IUPAC name is 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine
PubChem CID163566989
Molecular FormulaC23H21F3N8S
Molecular Weight498.54 g/mol
Exact Mass498.16
IUPAC Name6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc2ncc(SCn3ncc4ncc(-c5cnn(C6CCNCC6)c5)cc43)n2c1
InChIInChI=1S/C23H21F3N8S/c24-23(25,26)17-1-2-21-29-11-22(32(21)13-17)35-14-34-20-7-15(8-28-19(20)10-31-34)16-9-30-33(12-16)18-3-5-27-6-4-18/h1-2,7-13,18,27H,3-6,14H2
InChIKeyFWBCLYDLZAKCFT-UHFFFAOYSA-N
XLogP4.64
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine
CID 58532301
6-(1-methylpyrazol-4-yl)-1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;hydrochloride
CID 158564904
tert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 123637248
6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine
CID 121339211
1-[6-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;N,N-dimethyl-4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]aniline;1-[6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;hydrochloride
CID 159183249
2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidine;2,2,2-trifluoroacetic acid
CID 118227135
1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532470
tert-butyl 4-[4-[1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 121339210
methyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium
CID 91377064
1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium
CID 142755352
3-(3-bromo-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 67521088
3-[2-[5-chloro-2-(trifluoromethyl)phenyl]ethenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 123970762

Frequently Asked Questions

What is the IUPAC name of 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine (CID 163566989) is 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine is FC(F)(F)c1ccc2ncc(SCn3ncc4ncc(-c5cnn(C6CCNCC6)c5)cc43)n2c1.
What is the InChIKey of 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine?
The InChIKey is FWBCLYDLZAKCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N8S/c24-23(25,26)17-1-2-21-29-11-22(32(21)13-17)35-14-34-20-7-15(8-28-19(20)10-31-34)16-9-30-33(12-16)18-3-5-27-6-4-18/h1-2,7-13,18,27H,3-6,14H2.
What are the key properties of 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine?
6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine has a molecular weight of 498.54 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 163566989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).