3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen

C55H66F4N18O — CID 161067742

IUPAC3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen
SMILESCC(C)(F)CC1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.CC(C)(O)CC1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.C[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.[H][H]
InChIInChI=1S/C20H23F3N6O.C19H23FN6.C16H18N6.H2/c1-19(2,30)10-12-11-29(9-8-24-12)15-6-5-14(20(21,22)23)17(26-15)16-13-4-3-7-25-18(13)28-27-16;1-19(2,20)11-13-12-26(10-9-21-13)16-7-3-6-15(23-16)17-14-5-4-8-22-18(14)25-24-17;1-11-10-22(9-8-17-11)14-6-2-5-13(19-14)15-12-4-3-7-18-16(12)21-20-15;/h3-7,12,24,30H,8-11H2,1-2H3,(H,25,27,28);3-8,13,21H,9-12H2,1-2H3,(H,22,24,25);2-7,11,17H,8-10H2,1H3,(H,18,20,21);1H/t;;11-;/m..1./s1
InChIKeyUEGCQTXFIVPTDX-XDOQXNTLSA-N
MW1071.25 g/mol
LogP7.98
Rot. Bonds10

About 3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen

3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen (PubChem CID 161067742) has the molecular formula C55H66F4N18O and a molecular weight of 1071.25 g/mol. Its IUPAC name is 3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen.

Molecular Properties

Compound Name3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen
PubChem CID161067742
Molecular FormulaC55H66F4N18O
Molecular Weight1071.25 g/mol
Exact Mass1070.56
IUPAC Name3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen
SMILESCC(C)(F)CC1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.CC(C)(O)CC1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.C[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.[H][H]
InChIInChI=1S/C20H23F3N6O.C19H23FN6.C16H18N6.H2/c1-19(2,30)10-12-11-29(9-8-24-12)15-6-5-14(20(21,22)23)17(26-15)16-13-4-3-7-25-18(13)28-27-16;1-19(2,20)11-13-12-26(10-9-21-13)16-7-3-6-15(23-16)17-14-5-4-8-22-18(14)25-24-17;1-11-10-22(9-8-17-11)14-6-2-5-13(19-14)15-12-4-3-7-18-16(12)21-20-15;/h3-7,12,24,30H,8-11H2,1-2H3,(H,25,27,28);3-8,13,21H,9-12H2,1-2H3,(H,22,24,25);2-7,11,17H,8-10H2,1H3,(H,18,20,21);1H/t;;11-;/m..1./s1
InChIKeyUEGCQTXFIVPTDX-XDOQXNTLSA-N
XLogP7.98
TPSA229.42 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001071.25
LogP ≤ 57.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

(R)-2-((S)-4-(3,5-difluoro-6-(1H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl)piperazin-2-yl)-3-methylbutan-2-ol
CID 53308750
5-Fluoro-2-[(3S)-3-[(1R)-1-hydroxy-1,2-dimethylpropyl]-1-piperazinyl]-6-(1H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinecarbonitrile
CID 53354075
(2R)-2-[(2S)-4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 71583135
(2S)-2-[(2S)-4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 71583137
3-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 45108117
3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 45108120
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-(methoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949771
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-[3-(2-methoxy-3-methylbutan-2-yl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949825
(2S)-2-[(2R)-4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 71583136

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen?
The IUPAC name of 3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen (CID 161067742) is 3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen.
What is the SMILES notation for 3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen?
The canonical SMILES for 3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen is CC(C)(F)CC1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.CC(C)(O)CC1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.C[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.[H][H].
What is the InChIKey of 3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen?
The InChIKey is UEGCQTXFIVPTDX-XDOQXNTLSA-N. The full InChI is InChI=1S/C20H23F3N6O.C19H23FN6.C16H18N6.H2/c1-19(2,30)10-12-11-29(9-8-24-12)15-6-5-14(20(21,22)23)17(26-15)16-13-4-3-7-25-18(13)28-27-16;1-19(2,20)11-13-12-26(10-9-21-13)16-7-3-6-15(23-16)17-14-5-4-8-22-18(14)25-24-17;1-11-10-22(9-8-17-11)14-6-2-5-13(19-14)15-12-4-3-7-18-16(12)21-20-15;/h3-7,12,24,30H,8-11H2,1-2H3,(H,25,27,28);3-8,13,21H,9-12H2,1-2H3,(H,22,24,25);2-7,11,17H,8-10H2,1H3,(H,18,20,21);1H/t;;11-;/m..1./s1.
What are the key properties of 3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen?
3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen has a molecular weight of 1071.25 g/mol, XLogP of 7.98, 10 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol;molecular hydrogen is sourced from PubChem (CID 161067742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).