3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine

C58H63ClF6N18 — CID 159943426

IUPAC3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
SMILESCCCC1CN(c2ccc(Cl)c(-c3[nH]nc4ncccc34)n2)CCN1.FC(F)(F)c1ccc(N2CCN[C@@H](Cc3ccccc3)C2)nc1-c1[nH]nc2ncccc12.NC1CCCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)C1.[H][H].[H][H]
InChIInChI=1S/C23H21F3N6.C18H21ClN6.C17H17F3N6.2H2/c24-23(25,26)18-8-9-19(29-21(18)20-17-7-4-10-28-22(17)31-30-20)32-12-11-27-16(14-32)13-15-5-2-1-3-6-15;1-2-4-12-11-25(10-9-20-12)15-7-6-14(19)17(22-15)16-13-5-3-8-21-18(13)24-23-16;18-17(19,20)12-5-6-13(26-8-2-3-10(21)9-26)23-15(12)14-11-4-1-7-22-16(11)25-24-14;;/h1-10,16,27H,11-14H2,(H,28,30,31);3,5-8,12,20H,2,4,9-11H2,1H3,(H,21,23,24);1,4-7,10H,2-3,8-9,21H2,(H,22,24,25);2*1H/t16-;;;;/m0..../s1
InChIKeyOBEIQLPAODQVOU-FXAGWRDUSA-N
MW1161.71 g/mol
LogP10.77
Rot. Bonds10

About 3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine

3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine (PubChem CID 159943426) has the molecular formula C58H63ClF6N18 and a molecular weight of 1161.71 g/mol. Its IUPAC name is 3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
PubChem CID159943426
Molecular FormulaC58H63ClF6N18
Molecular Weight1161.71 g/mol
Exact Mass1160.51
IUPAC Name3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
SMILESCCCC1CN(c2ccc(Cl)c(-c3[nH]nc4ncccc34)n2)CCN1.FC(F)(F)c1ccc(N2CCN[C@@H](Cc3ccccc3)C2)nc1-c1[nH]nc2ncccc12.NC1CCCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)C1.[H][H].[H][H]
InChIInChI=1S/C23H21F3N6.C18H21ClN6.C17H17F3N6.2H2/c24-23(25,26)18-8-9-19(29-21(18)20-17-7-4-10-28-22(17)31-30-20)32-12-11-27-16(14-32)13-15-5-2-1-3-6-15;1-2-4-12-11-25(10-9-20-12)15-7-6-14(19)17(22-15)16-13-5-3-8-21-18(13)24-23-16;18-17(19,20)12-5-6-13(26-8-2-3-10(21)9-26)23-15(12)14-11-4-1-7-22-16(11)25-24-14;;/h1-10,16,27H,11-14H2,(H,28,30,31);3,5-8,12,20H,2,4,9-11H2,1H3,(H,21,23,24);1,4-7,10H,2-3,8-9,21H2,(H,22,24,25);2*1H/t16-;;;;/m0..../s1
InChIKeyOBEIQLPAODQVOU-FXAGWRDUSA-N
XLogP10.77
TPSA223.18 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001161.71
LogP ≤ 510.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-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

7-[2-chloro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836540
(R)-2-((S)-4-(3-chloro-5-fluoro-6-(1H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl)piperazin-2-yl)-3-methylbutan-2-ol
CID 53354074
3-[6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 45108044
3-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 45108117
3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 45108120
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
6-N-[(4-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168280107
6-N-[(4-chlorophenyl)methyl]-1-cyclohexyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168287901
6-N-[(4-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168291781
6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine
CID 155546098

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
The IUPAC name of 3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine (CID 159943426) is 3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for 3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for 3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine is CCCC1CN(c2ccc(Cl)c(-c3[nH]nc4ncccc34)n2)CCN1.FC(F)(F)c1ccc(N2CCN[C@@H](Cc3ccccc3)C2)nc1-c1[nH]nc2ncccc12.NC1CCCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)C1.[H][H].[H][H].
What is the InChIKey of 3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
The InChIKey is OBEIQLPAODQVOU-FXAGWRDUSA-N. The full InChI is InChI=1S/C23H21F3N6.C18H21ClN6.C17H17F3N6.2H2/c24-23(25,26)18-8-9-19(29-21(18)20-17-7-4-10-28-22(17)31-30-20)32-12-11-27-16(14-32)13-15-5-2-1-3-6-15;1-2-4-12-11-25(10-9-20-12)15-7-6-14(19)17(22-15)16-13-5-3-8-21-18(13)24-23-16;18-17(19,20)12-5-6-13(26-8-2-3-10(21)9-26)23-15(12)14-11-4-1-7-22-16(11)25-24-14;;/h1-10,16,27H,11-14H2,(H,28,30,31);3,5-8,12,20H,2,4,9-11H2,1H3,(H,21,23,24);1,4-7,10H,2-3,8-9,21H2,(H,22,24,25);2*1H/t16-;;;;/m0..../s1.
What are the key properties of 3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine has a molecular weight of 1161.71 g/mol, XLogP of 10.77, 10 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3S)-3-benzylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-chloro-6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 159943426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).