3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol

C74H97ClF3N23O — CID 159202614

IUPAC3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol
SMILESCC(C)C[C@H]1CN(c2cc(C(F)(F)F)cc(-c3[nH]nc4ncccc34)n2)CCN1.CCCC1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.Cc1cc(N2CCN[C@@H](CC(C)C)C2)nc(-c2[nH]nc3ncccc23)c1Cl.OC1(c2cccc(-c3[nH]nc4ncccc34)n2)CCNCC1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H25ClN6.C20H23F3N6.C18H22N6.C16H17N5O.5H2/c1-12(2)9-14-11-27(8-7-22-14)16-10-13(3)17(21)19(24-16)18-15-5-4-6-23-20(15)26-25-18;1-12(2)8-14-11-29(7-6-24-14)17-10-13(20(21,22)23)9-16(26-17)18-15-4-3-5-25-19(15)28-27-18;1-2-5-13-12-24(11-10-19-13)16-8-3-7-15(21-16)17-14-6-4-9-20-18(14)23-22-17;22-16(6-9-17-10-7-16)13-5-1-4-12(19-13)14-11-3-2-8-18-15(11)21-20-14;;;;;/h4-6,10,12,14,22H,7-9,11H2,1-3H3,(H,23,25,26);3-5,9-10,12,14,24H,6-8,11H2,1-2H3,(H,25,27,28);3-4,6-9,13,19H,2,5,10-12H2,1H3,(H,20,22,23);1-5,8,17,22H,6-7,9-10H2,(H,18,20,21);5*1H/t2*14-;;;;;;;/m00......./s1
InChIKeyKPMDNZVUKRMIGW-HBAHHAERSA-N
MW1417.20 g/mol
LogP13.09
Rot. Bonds14

About 3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol

3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol (PubChem CID 159202614) has the molecular formula C74H97ClF3N23O and a molecular weight of 1417.20 g/mol. Its IUPAC name is 3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol
PubChem CID159202614
Molecular FormulaC74H97ClF3N23O
Molecular Weight1417.20 g/mol
Exact Mass1415.79
IUPAC Name3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol
SMILESCC(C)C[C@H]1CN(c2cc(C(F)(F)F)cc(-c3[nH]nc4ncccc34)n2)CCN1.CCCC1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.Cc1cc(N2CCN[C@@H](CC(C)C)C2)nc(-c2[nH]nc3ncccc23)c1Cl.OC1(c2cccc(-c3[nH]nc4ncccc34)n2)CCNCC1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H25ClN6.C20H23F3N6.C18H22N6.C16H17N5O.5H2/c1-12(2)9-14-11-27(8-7-22-14)16-10-13(3)17(21)19(24-16)18-15-5-4-6-23-20(15)26-25-18;1-12(2)8-14-11-29(7-6-24-14)17-10-13(20(21,22)23)9-16(26-17)18-15-4-3-5-25-19(15)28-27-18;1-2-5-13-12-24(11-10-19-13)16-8-3-7-15(21-16)17-14-6-4-9-20-18(14)23-22-17;22-16(6-9-17-10-7-16)13-5-1-4-12(19-13)14-11-3-2-8-18-15(11)21-20-14;;;;;/h4-6,10,12,14,22H,7-9,11H2,1-3H3,(H,23,25,26);3-5,9-10,12,14,24H,6-8,11H2,1-2H3,(H,25,27,28);3-4,6-9,13,19H,2,5,10-12H2,1H3,(H,20,22,23);1-5,8,17,22H,6-7,9-10H2,(H,18,20,21);5*1H/t2*14-;;;;;;;/m00......./s1
InChIKeyKPMDNZVUKRMIGW-HBAHHAERSA-N
XLogP13.09
TPSA295.91 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001417.20
LogP ≤ 513.09
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze 3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

(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
2-(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 76020395
2-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol
CID 53341230
(2S)-2-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 66804463
(1S)-1-[(2S)-4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-1-phenylethanol
CID 67949853
1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-1-phenylethanol
CID 67949892
1-[(2S)-4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-1-phenylethanol
CID 89816404
(2R)-2-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylpentan-2-ol
CID 118198268
1-[2-[4-[5-Chloro-6-[1-[[5-chloro-4-[4-[5-[1-(4-fluorophenyl)-1-hydroxyethyl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-3-ium-3-yl]methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)ethanol
CID 123477532
1-(4-fluorophenyl)-1-[2-[4-[1-[(4-fluorophenyl)-hydroxy-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-1-ium-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 123926282
2-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 155103851
2-[2-hydroxyethyl-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol;2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 157051452

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol (CID 159202614) is 3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol is CC(C)C[C@H]1CN(c2cc(C(F)(F)F)cc(-c3[nH]nc4ncccc34)n2)CCN1.CCCC1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.Cc1cc(N2CCN[C@@H](CC(C)C)C2)nc(-c2[nH]nc3ncccc23)c1Cl.OC1(c2cccc(-c3[nH]nc4ncccc34)n2)CCNCC1.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol?
The InChIKey is KPMDNZVUKRMIGW-HBAHHAERSA-N. The full InChI is InChI=1S/C20H25ClN6.C20H23F3N6.C18H22N6.C16H17N5O.5H2/c1-12(2)9-14-11-27(8-7-22-14)16-10-13(3)17(21)19(24-16)18-15-5-4-6-23-20(15)26-25-18;1-12(2)8-14-11-29(7-6-24-14)17-10-13(20(21,22)23)9-16(26-17)18-15-4-3-5-25-19(15)28-27-18;1-2-5-13-12-24(11-10-19-13)16-8-3-7-15(21-16)17-14-6-4-9-20-18(14)23-22-17;22-16(6-9-17-10-7-16)13-5-1-4-12(19-13)14-11-3-2-8-18-15(11)21-20-14;;;;;/h4-6,10,12,14,22H,7-9,11H2,1-3H3,(H,23,25,26);3-5,9-10,12,14,24H,6-8,11H2,1-2H3,(H,25,27,28);3-4,6-9,13,19H,2,5,10-12H2,1H3,(H,20,22,23);1-5,8,17,22H,6-7,9-10H2,(H,18,20,21);5*1H/t2*14-;;;;;;;/m00......./s1.
What are the key properties of 3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol?
3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol has a molecular weight of 1417.20 g/mol, XLogP of 13.09, 14 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 159202614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).