1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride

C75H84Cl7F12N21O5 — CID 160647164

IUPAC1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride
SMILESCN[C@@H]1CCCC[C@H]1NC.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCCc2[nH]ccc21.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)O.Cc1cc(-n2cc3c(n2)CCCN3C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)ccc1Cl.Cc1cc(-n2ncc3c2CCCN3C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)ccc1Cl.Cl.c1n[nH]c2c1NCCC2
InChIInChI=1S/2C20H18Cl2F3N5O.C14H14ClF3N4O.C8H18N2.C7H6ClF3N2O2.C6H9N3.ClH/c1-11-8-13(5-6-14(11)21)30-9-16-15(26-30)4-3-7-28(16)17(31)10-29-12(2)18(22)19(27-29)20(23,24)25;1-11-8-13(5-6-14(11)21)30-15-4-3-7-28(16(15)9-26-30)17(31)10-29-12(2)18(22)19(27-29)20(23,24)25;1-8-12(15)13(14(16,17)18)20-22(8)7-11(23)21-6-2-3-9-10(21)4-5-19-9;1-9-7-5-3-4-6-8(7)10-2;1-3-5(8)6(7(9,10)11)12-13(3)2-4(14)15;1-2-5-6(7-3-1)4-8-9-5;/h2*5-6,8-9H,3-4,7,10H2,1-2H3;4-5,19H,2-3,6-7H2,1H3;7-10H,3-6H2,1-2H3;2H2,1H3,(H,14,15);4,7H,1-3H2,(H,8,9);1H/t;;;7-,8-;;;/m...1.../s1
InChIKeyYBKJNZUOEKDGGF-HKFCYTGZSA-N
MW1835.79 g/mol
LogP17.03
Rot. Bonds12

About 1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride

1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride (PubChem CID 160647164) has the molecular formula C75H84Cl7F12N21O5 and a molecular weight of 1835.79 g/mol. Its IUPAC name is 1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride
PubChem CID160647164
Molecular FormulaC75H84Cl7F12N21O5
Molecular Weight1835.79 g/mol
Exact Mass1831.46
IUPAC Name1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride
SMILESCN[C@@H]1CCCC[C@H]1NC.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCCc2[nH]ccc21.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)O.Cc1cc(-n2cc3c(n2)CCCN3C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)ccc1Cl.Cc1cc(-n2ncc3c2CCCN3C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)ccc1Cl.Cl.c1n[nH]c2c1NCCC2
InChIInChI=1S/2C20H18Cl2F3N5O.C14H14ClF3N4O.C8H18N2.C7H6ClF3N2O2.C6H9N3.ClH/c1-11-8-13(5-6-14(11)21)30-9-16-15(26-30)4-3-7-28(16)17(31)10-29-12(2)18(22)19(27-29)20(23,24)25;1-11-8-13(5-6-14(11)21)30-15-4-3-7-28(16(15)9-26-30)17(31)10-29-12(2)18(22)19(27-29)20(23,24)25;1-8-12(15)13(14(16,17)18)20-22(8)7-11(23)21-6-2-3-9-10(21)4-5-19-9;1-9-7-5-3-4-6-8(7)10-2;1-3-5(8)6(7(9,10)11)12-13(3)2-4(14)15;1-2-5-6(7-3-1)4-8-9-5;/h2*5-6,8-9H,3-4,7,10H2,1-2H3;4-5,19H,2-3,6-7H2,1H3;7-10H,3-6H2,1-2H3;2H2,1H3,(H,14,15);4,7H,1-3H2,(H,8,9);1H/t;;;7-,8-;;;/m...1.../s1
InChIKeyYBKJNZUOEKDGGF-HKFCYTGZSA-N
XLogP17.03
TPSA285.71 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001835.79
LogP ≤ 517.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride with MolForge

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Related Compounds

tert-butyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]ethanone;1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride
CID 157241381
1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 158486211
1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride
CID 159873571
acetic acid;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(6-hydroxypyrazolo[5,4-c]pyridin-6-ium-1-yl)ethanone;hydrogen peroxide;6-hydroxy-1H-pyrazolo[5,4-c]pyridin-6-ium;1H-pyrazolo[5,4-c]pyridine
CID 157432774
3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;hydrochloride
CID 157772852
2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone
CID 157891922
2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;methane;1H-pyrazolo[5,4-c]pyridine
CID 158084332
dipotassium;2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,3-c]pyridin-2-ylethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[4,5-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[4,5-c]pyridine
CID 158388419
acetic acid;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(6-hydroxypyrazolo[5,4-c]pyridin-6-ium-1-yl)ethanone;hydrogen peroxide;6-hydroxy-1H-pyrazolo[5,4-c]pyridin-6-ium;1H-pyrazolo[5,4-c]pyridine
CID 159284584
dipotassium;2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;hydride;oxido formate;1H-pyrazolo[5,4-c]pyridine
CID 159371048
2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methylphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;1H-pyrazolo[5,4-c]pyridine
CID 161853051

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride?
The IUPAC name of 1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride (CID 160647164) is 1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride.
What is the SMILES notation for 1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride?
The canonical SMILES for 1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride is CN[C@@H]1CCCC[C@H]1NC.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCCc2[nH]ccc21.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)O.Cc1cc(-n2cc3c(n2)CCCN3C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)ccc1Cl.Cc1cc(-n2ncc3c2CCCN3C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)ccc1Cl.Cl.c1n[nH]c2c1NCCC2.
What is the InChIKey of 1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride?
The InChIKey is YBKJNZUOEKDGGF-HKFCYTGZSA-N. The full InChI is InChI=1S/2C20H18Cl2F3N5O.C14H14ClF3N4O.C8H18N2.C7H6ClF3N2O2.C6H9N3.ClH/c1-11-8-13(5-6-14(11)21)30-9-16-15(26-30)4-3-7-28(16)17(31)10-29-12(2)18(22)19(27-29)20(23,24)25;1-11-8-13(5-6-14(11)21)30-15-4-3-7-28(16(15)9-26-30)17(31)10-29-12(2)18(22)19(27-29)20(23,24)25;1-8-12(15)13(14(16,17)18)20-22(8)7-11(23)21-6-2-3-9-10(21)4-5-19-9;1-9-7-5-3-4-6-8(7)10-2;1-3-5(8)6(7(9,10)11)12-13(3)2-4(14)15;1-2-5-6(7-3-1)4-8-9-5;/h2*5-6,8-9H,3-4,7,10H2,1-2H3;4-5,19H,2-3,6-7H2,1H3;7-10H,3-6H2,1-2H3;2H2,1H3,(H,14,15);4,7H,1-3H2,(H,8,9);1H/t;;;7-,8-;;;/m...1.../s1.
What are the key properties of 1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride?
1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride has a molecular weight of 1835.79 g/mol, XLogP of 17.03, 12 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[2-(4-chloro-3-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(1,5,6,7-tetrahydropyrrolo[3,2-b]pyridin-4-yl)ethanone;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine;hydrochloride is sourced from PubChem (CID 160647164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).