3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine

C64H62ClF7N18 — CID 160623191

IUPAC3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine
SMILESCC(C)C[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CC[C@@H]1N.FC(F)(F)c1ccc(N2CCNC(c3cccc(Cl)c3)C2)nc1-c1[nH]nc2ncccc12.Fc1ccc(C2CN(c3ccc(C(F)(F)F)c(-c4[nH]nc5ncccc45)n3)CCN2)cc1
InChIInChI=1S/C22H18ClF3N6.C22H18F4N6.C20H26N6/c23-14-4-1-3-13(11-14)17-12-32(10-9-27-17)18-7-6-16(22(24,25)26)20(29-18)19-15-5-2-8-28-21(15)31-30-19;23-14-5-3-13(4-6-14)17-12-32(11-10-27-17)18-8-7-16(22(24,25)26)20(29-18)19-15-2-1-9-28-21(15)31-30-19;1-13(2)11-14-12-26(10-8-16(14)21)18-7-3-6-17(23-18)19-15-5-4-9-22-20(15)25-24-19/h1-8,11,17,27H,9-10,12H2,(H,28,30,31);1-9,17,27H,10-12H2,(H,28,30,31);3-7,9,13-14,16H,8,10-12,21H2,1-2H3,(H,22,24,25)/t;;14-,16+/m..1/s1
InChIKeyRGYRKYTYWPZDPR-LLIVZHLJSA-N
MW1251.76 g/mol
LogP12.39
Rot. Bonds10

About 3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine

3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine (PubChem CID 160623191) has the molecular formula C64H62ClF7N18 and a molecular weight of 1251.76 g/mol. Its IUPAC name is 3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine
PubChem CID160623191
Molecular FormulaC64H62ClF7N18
Molecular Weight1251.76 g/mol
Exact Mass1250.50
IUPAC Name3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine
SMILESCC(C)C[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CC[C@@H]1N.FC(F)(F)c1ccc(N2CCNC(c3cccc(Cl)c3)C2)nc1-c1[nH]nc2ncccc12.Fc1ccc(C2CN(c3ccc(C(F)(F)F)c(-c4[nH]nc5ncccc45)n3)CCN2)cc1
InChIInChI=1S/C22H18ClF3N6.C22H18F4N6.C20H26N6/c23-14-4-1-3-13(11-14)17-12-32(10-9-27-17)18-7-6-16(22(24,25)26)20(29-18)19-15-5-2-8-28-21(15)31-30-19;23-14-5-3-13(4-6-14)17-12-32(11-10-27-17)18-8-7-16(22(24,25)26)20(29-18)19-15-2-1-9-28-21(15)31-30-19;1-13(2)11-14-12-26(10-8-16(14)21)18-7-3-6-17(23-18)19-15-5-4-9-22-20(15)25-24-19/h1-8,11,17,27H,9-10,12H2,(H,28,30,31);1-9,17,27H,10-12H2,(H,28,30,31);3-7,9,13-14,16H,8,10-12,21H2,1-2H3,(H,22,24,25)/t;;14-,16+/m..1/s1
InChIKeyRGYRKYTYWPZDPR-LLIVZHLJSA-N
XLogP12.39
TPSA223.18 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001251.76
LogP ≤ 512.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine 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

3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949700
3-[3-fluoro-6-[(3R,5S)-3-methyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949769
3-[3-fluoro-6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949780
3-[3-fluoro-6-[(3S,5S)-3-methyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949768
N-(6-(2-chlorophenyl)-4-(trifluoromethyl)pyridin-2-yl)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 25014473
5-(4-{4-[5-(4-chloropyridine-2-yl)-1H-[1,2,4]triazole-3-yl]-piperidine-1-ylmethyl}-phenyl)-2-cyclopropyl-6-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 68751845
5-(4-{4-[5-(4-chloropyridine-2-yl)-1H-[1,2,4]triazole-3-yl]-piperidine-1-ylmethyl}-phenyl) 6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 68753925
5-chloro-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine
CID 90412740
2-(5-chloro-2-fluorophenyl)-5-(propan-2-yl)-N-{1H-pyrazolo[3,4-d]pyrimidin-4-yl}pyridin-4-amine
CID 118211266
3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 136213593
3-[1-[[3-Chloro-5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 136491599
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137034346

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of 3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine (CID 160623191) is 3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for 3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine is CC(C)C[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CC[C@@H]1N.FC(F)(F)c1ccc(N2CCNC(c3cccc(Cl)c3)C2)nc1-c1[nH]nc2ncccc12.Fc1ccc(C2CN(c3ccc(C(F)(F)F)c(-c4[nH]nc5ncccc45)n3)CCN2)cc1.
What is the InChIKey of 3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is RGYRKYTYWPZDPR-LLIVZHLJSA-N. The full InChI is InChI=1S/C22H18ClF3N6.C22H18F4N6.C20H26N6/c23-14-4-1-3-13(11-14)17-12-32(10-9-27-17)18-7-6-16(22(24,25)26)20(29-18)19-15-5-2-8-28-21(15)31-30-19;23-14-5-3-13(4-6-14)17-12-32(11-10-27-17)18-8-7-16(22(24,25)26)20(29-18)19-15-2-1-9-28-21(15)31-30-19;1-13(2)11-14-12-26(10-8-16(14)21)18-7-3-6-17(23-18)19-15-5-4-9-22-20(15)25-24-19/h1-8,11,17,27H,9-10,12H2,(H,28,30,31);1-9,17,27H,10-12H2,(H,28,30,31);3-7,9,13-14,16H,8,10-12,21H2,1-2H3,(H,22,24,25)/t;;14-,16+/m..1/s1.
What are the key properties of 3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine?
3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 1251.76 g/mol, XLogP of 12.39, 10 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(4-fluorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 160623191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).