5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

C67H68Cl2F8N24 — CID 159723640

IUPAC5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncc(F)cc34)n2)CCN1.C[C@H]1CN(c2cccc(-c3[nH]nc4ncc(Cl)cc34)n2)CCN1.Clc1cnc2n[nH]c(-c3cccc(N4CCNCC4)n3)c2c1.Fc1cnc2n[nH]c(-c3nc(N4CCNCC4)ccc3C(F)(F)F)c2c1
InChIInChI=1S/C20H22F4N6.C16H17ClN6.C16H14F4N6.C15H15ClN6/c1-11(2)7-13-10-30(6-5-25-13)16-4-3-15(20(22,23)24)18(27-16)17-14-8-12(21)9-26-19(14)29-28-17;1-10-9-23(6-5-18-10)14-4-2-3-13(20-14)15-12-7-11(17)8-19-16(12)22-21-15;17-9-7-10-13(24-25-15(10)22-8-9)14-11(16(18,19)20)1-2-12(23-14)26-5-3-21-4-6-26;16-10-8-11-14(20-21-15(11)18-9-10)12-2-1-3-13(19-12)22-6-4-17-5-7-22/h3-4,8-9,11,13,25H,5-7,10H2,1-2H3,(H,26,28,29);2-4,7-8,10,18H,5-6,9H2,1H3,(H,19,21,22);1-2,7-8,21H,3-6H2,(H,22,24,25);1-3,8-9,17H,4-7H2,(H,18,20,21)/t13-;10-;;/m00../s1
InChIKeyNAIYTVLWFBJRRG-MNQGUGIPSA-N
MW1432.34 g/mol
LogP11.14
Rot. Bonds10

About 5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 159723640) has the molecular formula C67H68Cl2F8N24 and a molecular weight of 1432.34 g/mol. Its IUPAC name is 5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID159723640
Molecular FormulaC67H68Cl2F8N24
Molecular Weight1432.34 g/mol
Exact Mass1430.53
IUPAC Name5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncc(F)cc34)n2)CCN1.C[C@H]1CN(c2cccc(-c3[nH]nc4ncc(Cl)cc34)n2)CCN1.Clc1cnc2n[nH]c(-c3cccc(N4CCNCC4)n3)c2c1.Fc1cnc2n[nH]c(-c3nc(N4CCNCC4)ccc3C(F)(F)F)c2c1
InChIInChI=1S/C20H22F4N6.C16H17ClN6.C16H14F4N6.C15H15ClN6/c1-11(2)7-13-10-30(6-5-25-13)16-4-3-15(20(22,23)24)18(27-16)17-14-8-12(21)9-26-19(14)29-28-17;1-10-9-23(6-5-18-10)14-4-2-3-13(20-14)15-12-7-11(17)8-19-16(12)22-21-15;17-9-7-10-13(24-25-15(10)22-8-9)14-11(16(18,19)20)1-2-12(23-14)26-5-3-21-4-6-26;16-10-8-11-14(20-21-15(11)18-9-10)12-2-1-3-13(19-12)22-6-4-17-5-7-22/h3-4,8-9,11,13,25H,5-7,10H2,1-2H3,(H,26,28,29);2-4,7-8,10,18H,5-6,9H2,1H3,(H,19,21,22);1-2,7-8,21H,3-6H2,(H,22,24,25);1-3,8-9,17H,4-7H2,(H,18,20,21)/t13-;10-;;/m00../s1
InChIKeyNAIYTVLWFBJRRG-MNQGUGIPSA-N
XLogP11.14
TPSA278.92 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001432.34
LogP ≤ 511.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

7-[2,6-difluoro-4-[(1S,4S)-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837401
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
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
N-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 136215079
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
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137040606

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 159723640) is 5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is CC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncc(F)cc34)n2)CCN1.C[C@H]1CN(c2cccc(-c3[nH]nc4ncc(Cl)cc34)n2)CCN1.Clc1cnc2n[nH]c(-c3cccc(N4CCNCC4)n3)c2c1.Fc1cnc2n[nH]c(-c3nc(N4CCNCC4)ccc3C(F)(F)F)c2c1.
What is the InChIKey of 5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is NAIYTVLWFBJRRG-MNQGUGIPSA-N. The full InChI is InChI=1S/C20H22F4N6.C16H17ClN6.C16H14F4N6.C15H15ClN6/c1-11(2)7-13-10-30(6-5-25-13)16-4-3-15(20(22,23)24)18(27-16)17-14-8-12(21)9-26-19(14)29-28-17;1-10-9-23(6-5-18-10)14-4-2-3-13(20-14)15-12-7-11(17)8-19-16(12)22-21-15;17-9-7-10-13(24-25-15(10)22-8-9)14-11(16(18,19)20)1-2-12(23-14)26-5-3-21-4-6-26;16-10-8-11-14(20-21-15(11)18-9-10)12-2-1-3-13(19-12)22-6-4-17-5-7-22/h3-4,8-9,11,13,25H,5-7,10H2,1-2H3,(H,26,28,29);2-4,7-8,10,18H,5-6,9H2,1H3,(H,19,21,22);1-2,7-8,21H,3-6H2,(H,22,24,25);1-3,8-9,17H,4-7H2,(H,18,20,21)/t13-;10-;;/m00../s1.
What are the key properties of 5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 1432.34 g/mol, XLogP of 11.14, 10 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 159723640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).