3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

C80H99F3N24 — CID 158726561

IUPAC3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESC=C(F)c1cc(-c2[nH]nc3ncccc23)nc(N2CCN[C@@H](CC(C)C)C2)c1.CC(F)(F)CC1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.Cc1cc(-c2[nH]nc3ncccc23)nc(N2CCN[C@@H](CC(C)C)C2)c1.[H][H].[H][H].[H][H].[H][H].c1ccc([C@H]2CN(c3cccc(-c4[nH]nc5ncccc45)n3)CCN2)cc1
InChIInChI=1S/C21H25FN6.C21H20N6.C20H26N6.C18H20F2N6.4H2/c1-13(2)9-16-12-28(8-7-23-16)19-11-15(14(3)22)10-18(25-19)20-17-5-4-6-24-21(17)27-26-20;1-2-6-15(7-3-1)18-14-27(13-12-22-18)19-10-4-9-17(24-19)20-16-8-5-11-23-21(16)26-25-20;1-13(2)9-15-12-26(8-7-21-15)18-11-14(3)10-17(23-18)19-16-5-4-6-22-20(16)25-24-19;1-18(19,20)10-12-11-26(9-8-21-12)15-6-2-5-14(23-15)16-13-4-3-7-22-17(13)25-24-16;;;;/h4-6,10-11,13,16,23H,3,7-9,12H2,1-2H3,(H,24,26,27);1-11,18,22H,12-14H2,(H,23,25,26);4-6,10-11,13,15,21H,7-9,12H2,1-3H3,(H,22,24,25);2-7,12,21H,8-11H2,1H3,(H,22,24,25);4*1H/t16-;18-;15-;;;;;/m010...../s1
InChIKeyIKONJUQCVJBGED-AVOWLVOYSA-N
MW1453.83 g/mol
LogP13.94
Rot. Bonds16

About 3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 158726561) has the molecular formula C80H99F3N24 and a molecular weight of 1453.83 g/mol. Its IUPAC name is 3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID158726561
Molecular FormulaC80H99F3N24
Molecular Weight1453.83 g/mol
Exact Mass1452.84
IUPAC Name3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESC=C(F)c1cc(-c2[nH]nc3ncccc23)nc(N2CCN[C@@H](CC(C)C)C2)c1.CC(F)(F)CC1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.Cc1cc(-c2[nH]nc3ncccc23)nc(N2CCN[C@@H](CC(C)C)C2)c1.[H][H].[H][H].[H][H].[H][H].c1ccc([C@H]2CN(c3cccc(-c4[nH]nc5ncccc45)n3)CCN2)cc1
InChIInChI=1S/C21H25FN6.C21H20N6.C20H26N6.C18H20F2N6.4H2/c1-13(2)9-16-12-28(8-7-23-16)19-11-15(14(3)22)10-18(25-19)20-17-5-4-6-24-21(17)27-26-20;1-2-6-15(7-3-1)18-14-27(13-12-22-18)19-10-4-9-17(24-19)20-16-8-5-11-23-21(16)26-25-20;1-13(2)9-15-12-26(8-7-21-15)18-11-14(3)10-17(23-18)19-16-5-4-6-22-20(16)25-24-19;1-18(19,20)10-12-11-26(9-8-21-12)15-6-2-5-14(23-15)16-13-4-3-7-22-17(13)25-24-16;;;;/h4-6,10-11,13,16,23H,3,7-9,12H2,1-2H3,(H,24,26,27);1-11,18,22H,12-14H2,(H,23,25,26);4-6,10-11,13,15,21H,7-9,12H2,1-3H3,(H,22,24,25);2-7,12,21H,8-11H2,1H3,(H,22,24,25);4*1H/t16-;18-;15-;;;;;/m010...../s1
InChIKeyIKONJUQCVJBGED-AVOWLVOYSA-N
XLogP13.94
TPSA278.92 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001453.83
LogP ≤ 513.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

CID 138105936
CID 138105936
N-methyl-6-phenyl-7-[4-({4-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
CID 11664023
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
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 158726561) is 3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is C=C(F)c1cc(-c2[nH]nc3ncccc23)nc(N2CCN[C@@H](CC(C)C)C2)c1.CC(F)(F)CC1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.Cc1cc(-c2[nH]nc3ncccc23)nc(N2CCN[C@@H](CC(C)C)C2)c1.[H][H].[H][H].[H][H].[H][H].c1ccc([C@H]2CN(c3cccc(-c4[nH]nc5ncccc45)n3)CCN2)cc1.
What is the InChIKey of 3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is IKONJUQCVJBGED-AVOWLVOYSA-N. The full InChI is InChI=1S/C21H25FN6.C21H20N6.C20H26N6.C18H20F2N6.4H2/c1-13(2)9-16-12-28(8-7-23-16)19-11-15(14(3)22)10-18(25-19)20-17-5-4-6-24-21(17)27-26-20;1-2-6-15(7-3-1)18-14-27(13-12-22-18)19-10-4-9-17(24-19)20-16-8-5-11-23-21(16)26-25-20;1-13(2)9-15-12-26(8-7-21-15)18-11-14(3)10-17(23-18)19-16-5-4-6-22-20(16)25-24-19;1-18(19,20)10-12-11-26(9-8-21-12)15-6-2-5-14(23-15)16-13-4-3-7-22-17(13)25-24-16;;;;/h4-6,10-11,13,16,23H,3,7-9,12H2,1-2H3,(H,24,26,27);1-11,18,22H,12-14H2,(H,23,25,26);4-6,10-11,13,15,21H,7-9,12H2,1-3H3,(H,22,24,25);2-7,12,21H,8-11H2,1H3,(H,22,24,25);4*1H/t16-;18-;15-;;;;;/m010...../s1.
What are the key properties of 3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 1453.83 g/mol, XLogP of 13.94, 16 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 158726561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).