5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen

C75H83BrF3N23 — CID 159568630

IUPAC5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
SMILESCC(C)C[C@H]1CC(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncc(Br)cc34)n2)CCN1.C[C@@H]1CNCCN1c1cccc(-c2[nH]nc3ncccc23)n1.C[C@H]1CNCCN1c1cccc(-c2[nH]nc3ncccc23)n1.Cc1ccccc1C1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.[H][H]
InChIInChI=1S/C22H22N6.C21H23BrF3N5.2C16H18N6.H2/c1-15-6-2-3-7-16(15)19-14-28(13-12-23-19)20-10-4-9-18(25-20)21-17-8-5-11-24-22(17)27-26-21;1-11(2)7-14-8-12(5-6-26-14)17-4-3-16(21(23,24)25)19(28-17)18-15-9-13(22)10-27-20(15)30-29-18;2*1-11-10-17-8-9-22(11)14-6-2-5-13(19-14)15-12-4-3-7-18-16(12)21-20-15;/h2-11,19,23H,12-14H2,1H3,(H,24,26,27);3-4,9-12,14,26H,5-8H2,1-2H3,(H,27,29,30);2*2-7,11,17H,8-10H2,1H3,(H,18,20,21);1H/t;12?,14-;2*11-;/m.010./s1
InChIKeyMHNJIHMTTGRLTQ-OOQLFYNHSA-N
MW1443.55 g/mol
LogP13.04
Rot. Bonds11

About 5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen

5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen (PubChem CID 159568630) has the molecular formula C75H83BrF3N23 and a molecular weight of 1443.55 g/mol. Its IUPAC name is 5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen.

Molecular Properties

Compound Name5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
PubChem CID159568630
Molecular FormulaC75H83BrF3N23
Molecular Weight1443.55 g/mol
Exact Mass1441.63
IUPAC Name5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
SMILESCC(C)C[C@H]1CC(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncc(Br)cc34)n2)CCN1.C[C@@H]1CNCCN1c1cccc(-c2[nH]nc3ncccc23)n1.C[C@H]1CNCCN1c1cccc(-c2[nH]nc3ncccc23)n1.Cc1ccccc1C1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.[H][H]
InChIInChI=1S/C22H22N6.C21H23BrF3N5.2C16H18N6.H2/c1-15-6-2-3-7-16(15)19-14-28(13-12-23-19)20-10-4-9-18(25-20)21-17-8-5-11-24-22(17)27-26-21;1-11(2)7-14-8-12(5-6-26-14)17-4-3-16(21(23,24)25)19(28-17)18-15-9-13(22)10-27-20(15)30-29-18;2*1-11-10-17-8-9-22(11)14-6-2-5-13(19-14)15-12-4-3-7-18-16(12)21-20-15;/h2-11,19,23H,12-14H2,1H3,(H,24,26,27);3-4,9-12,14,26H,5-8H2,1-2H3,(H,27,29,30);2*2-7,11,17H,8-10H2,1H3,(H,18,20,21);1H/t;12?,14-;2*11-;/m.010./s1
InChIKeyMHNJIHMTTGRLTQ-OOQLFYNHSA-N
XLogP13.04
TPSA275.68 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001443.55
LogP ≤ 513.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze 5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen 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-bromo-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 49836541
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)-3-fluorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49837087

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen?
The IUPAC name of 5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen (CID 159568630) is 5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen.
What is the SMILES notation for 5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen?
The canonical SMILES for 5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen is CC(C)C[C@H]1CC(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncc(Br)cc34)n2)CCN1.C[C@@H]1CNCCN1c1cccc(-c2[nH]nc3ncccc23)n1.C[C@H]1CNCCN1c1cccc(-c2[nH]nc3ncccc23)n1.Cc1ccccc1C1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.[H][H].
What is the InChIKey of 5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen?
The InChIKey is MHNJIHMTTGRLTQ-OOQLFYNHSA-N. The full InChI is InChI=1S/C22H22N6.C21H23BrF3N5.2C16H18N6.H2/c1-15-6-2-3-7-16(15)19-14-28(13-12-23-19)20-10-4-9-18(25-20)21-17-8-5-11-24-22(17)27-26-21;1-11(2)7-14-8-12(5-6-26-14)17-4-3-16(21(23,24)25)19(28-17)18-15-9-13(22)10-27-20(15)30-29-18;2*1-11-10-17-8-9-22(11)14-6-2-5-13(19-14)15-12-4-3-7-18-16(12)21-20-15;/h2-11,19,23H,12-14H2,1H3,(H,24,26,27);3-4,9-12,14,26H,5-8H2,1-2H3,(H,27,29,30);2*2-7,11,17H,8-10H2,1H3,(H,18,20,21);1H/t;12?,14-;2*11-;/m.010./s1.
What are the key properties of 5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen?
5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen has a molecular weight of 1443.55 g/mol, XLogP of 13.04, 11 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen is sourced from PubChem (CID 159568630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).