3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

C72H80F7N23 — CID 162062148

IUPAC3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCC(C)CC1(C)CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.CC1(C)CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.CC1(C)CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.FC1(c2cccc(-c3[nH]nc4ncccc34)n2)CCNCC1
InChIInChI=1S/C21H25F3N6.C18H19F3N6.C17H20N6.C16H16FN5/c1-13(2)11-20(3)12-30(10-9-26-20)16-7-6-15(21(22,23)24)18(27-16)17-14-5-4-8-25-19(14)29-28-17;1-17(2)10-27(9-8-23-17)13-6-5-12(18(19,20)21)15(24-13)14-11-4-3-7-22-16(11)26-25-14;1-17(2)11-23(10-9-19-17)14-7-3-6-13(20-14)15-12-5-4-8-18-16(12)22-21-15;17-16(6-9-18-10-7-16)13-5-1-4-12(20-13)14-11-3-2-8-19-15(11)22-21-14/h4-8,13,26H,9-12H2,1-3H3,(H,25,28,29);3-7,23H,8-10H2,1-2H3,(H,22,25,26);3-8,19H,9-11H2,1-2H3,(H,18,21,22);1-5,8,18H,6-7,9-10H2,(H,19,21,22)
InChIKeyYZZFESWGSGLRFT-UHFFFAOYSA-N
MW1400.58 g/mol
LogP12.26
Rot. Bonds10

About 3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 162062148) has the molecular formula C72H80F7N23 and a molecular weight of 1400.58 g/mol. Its IUPAC name is 3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID162062148
Molecular FormulaC72H80F7N23
Molecular Weight1400.58 g/mol
Exact Mass1399.69
IUPAC Name3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCC(C)CC1(C)CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.CC1(C)CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.CC1(C)CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.FC1(c2cccc(-c3[nH]nc4ncccc34)n2)CCNCC1
InChIInChI=1S/C21H25F3N6.C18H19F3N6.C17H20N6.C16H16FN5/c1-13(2)11-20(3)12-30(10-9-26-20)16-7-6-15(21(22,23)24)18(27-16)17-14-5-4-8-25-19(14)29-28-17;1-17(2)10-27(9-8-23-17)13-6-5-12(18(19,20)21)15(24-13)14-11-4-3-7-22-16(11)26-25-14;1-17(2)11-23(10-9-19-17)14-7-3-6-13(20-14)15-12-5-4-8-18-16(12)22-21-15;17-16(6-9-18-10-7-16)13-5-1-4-12(20-13)14-11-3-2-8-19-15(11)22-21-14/h4-8,13,26H,9-12H2,1-3H3,(H,25,28,29);3-7,23H,8-10H2,1-2H3,(H,22,25,26);3-8,19H,9-11H2,1-2H3,(H,18,21,22);1-5,8,18H,6-7,9-10H2,(H,19,21,22)
InChIKeyYZZFESWGSGLRFT-UHFFFAOYSA-N
XLogP12.26
TPSA275.68 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001400.58
LogP ≤ 512.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze 3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)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-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836857
3-(7-fluoro-1H-indazol-4-yl)-7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836964
3-(7-fluoro-1H-indazol-4-yl)-7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836965
7-(2,6-Difluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(7-fluoro-1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836966
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49836968
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49837087

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 162062148) is 3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is CC(C)CC1(C)CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.CC1(C)CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.CC1(C)CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.FC1(c2cccc(-c3[nH]nc4ncccc34)n2)CCNCC1.
What is the InChIKey of 3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is YZZFESWGSGLRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N6.C18H19F3N6.C17H20N6.C16H16FN5/c1-13(2)11-20(3)12-30(10-9-26-20)16-7-6-15(21(22,23)24)18(27-16)17-14-5-4-8-25-19(14)29-28-17;1-17(2)10-27(9-8-23-17)13-6-5-12(18(19,20)21)15(24-13)14-11-4-3-7-22-16(11)26-25-14;1-17(2)11-23(10-9-19-17)14-7-3-6-13(20-14)15-12-5-4-8-18-16(12)22-21-15;17-16(6-9-18-10-7-16)13-5-1-4-12(20-13)14-11-3-2-8-19-15(11)22-21-14/h4-8,13,26H,9-12H2,1-3H3,(H,25,28,29);3-7,23H,8-10H2,1-2H3,(H,22,25,26);3-8,19H,9-11H2,1-2H3,(H,18,21,22);1-5,8,18H,6-7,9-10H2,(H,19,21,22).
What are the key properties of 3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 1400.58 g/mol, XLogP of 12.26, 10 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162062148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).