2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol

C56H73F2N19O2 — CID 158949565

IUPAC2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol
SMILESCC(C)C(C)(O)C1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1.CC(C)C[C@H]1CN(c2cc(C#N)cc(-c3[nH]nc4ncccc34)n2)CCN1.OCc1cc(-c2[nH]nc3ncccc23)nc(N2CCNCC2)c1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H24F2N6O.C20H23N7.C16H18N6O.4H2/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-14(22)9-13(21)17(25-19)16-12-5-4-6-24-18(12)27-26-16;1-13(2)8-15-12-27(7-6-22-15)18-10-14(11-21)9-17(24-18)19-16-4-3-5-23-20(16)26-25-19;23-10-11-8-13(15-12-2-1-3-18-16(12)21-20-15)19-14(9-11)22-6-4-17-5-7-22;;;;/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27);3-5,9-10,13,15,22H,6-8,12H2,1-2H3,(H,23,25,26);1-3,8-9,17,23H,4-7,10H2,(H,18,20,21);4*1H/t;15-;;;;;/m.0...../s1
InChIKeyJLGFVNXJRZRTEB-OFFHVQSMSA-N
MW1082.33 g/mol
LogP7.10
Rot. Bonds11

About 2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol

2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol (PubChem CID 158949565) has the molecular formula C56H73F2N19O2 and a molecular weight of 1082.33 g/mol. Its IUPAC name is 2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol
PubChem CID158949565
Molecular FormulaC56H73F2N19O2
Molecular Weight1082.33 g/mol
Exact Mass1081.62
IUPAC Name2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol
SMILESCC(C)C(C)(O)C1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1.CC(C)C[C@H]1CN(c2cc(C#N)cc(-c3[nH]nc4ncccc34)n2)CCN1.OCc1cc(-c2[nH]nc3ncccc23)nc(N2CCNCC2)c1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H24F2N6O.C20H23N7.C16H18N6O.4H2/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-14(22)9-13(21)17(25-19)16-12-5-4-6-24-18(12)27-26-16;1-13(2)8-15-12-27(7-6-22-15)18-10-14(11-21)9-17(24-18)19-16-4-3-5-23-20(16)26-25-19;23-10-11-8-13(15-12-2-1-3-18-16(12)21-20-15)19-14(9-11)22-6-4-17-5-7-22;;;;/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27);3-5,9-10,13,15,22H,6-8,12H2,1-2H3,(H,23,25,26);1-3,8-9,17,23H,4-7,10H2,(H,18,20,21);4*1H/t;15-;;;;;/m.0...../s1
InChIKeyJLGFVNXJRZRTEB-OFFHVQSMSA-N
XLogP7.10
TPSA273.44 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001082.33
LogP ≤ 57.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze 2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2-methylbutane-1,3-diol;molecular hydrogen
CID 158454417
[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol;3-[3-ethynyl-5-fluoro-6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 158970848
3-[3-fluoro-6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
CID 160924712
(3R)-3-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2-methylbutane-1,3-diol;molecular hydrogen
CID 161237073
3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67950023
3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 45107962
3,3-difluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]butan-2-ol
CID 67949830
1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol
CID 53308753
1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol
CID 75078893
1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-1-phenylethanol
CID 67949892
3-[6-[3-(1,1-difluoro-2-methylpropyl)piperazin-1-yl]-3-fluoro-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3S,4R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-one
CID 159928485
3-[3-fluoro-6-[3-(2-methoxypropan-2-yl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949776

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol?
The IUPAC name of 2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol (CID 158949565) is 2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol.
What is the SMILES notation for 2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol?
The canonical SMILES for 2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol is CC(C)C(C)(O)C1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1.CC(C)C[C@H]1CN(c2cc(C#N)cc(-c3[nH]nc4ncccc34)n2)CCN1.OCc1cc(-c2[nH]nc3ncccc23)nc(N2CCNCC2)c1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol?
The InChIKey is JLGFVNXJRZRTEB-OFFHVQSMSA-N. The full InChI is InChI=1S/C20H24F2N6O.C20H23N7.C16H18N6O.4H2/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-14(22)9-13(21)17(25-19)16-12-5-4-6-24-18(12)27-26-16;1-13(2)8-15-12-27(7-6-22-15)18-10-14(11-21)9-17(24-18)19-16-4-3-5-23-20(16)26-25-19;23-10-11-8-13(15-12-2-1-3-18-16(12)21-20-15)19-14(9-11)22-6-4-17-5-7-22;;;;/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27);3-5,9-10,13,15,22H,6-8,12H2,1-2H3,(H,23,25,26);1-3,8-9,17,23H,4-7,10H2,(H,18,20,21);4*1H/t;15-;;;;;/m.0...../s1.
What are the key properties of 2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol?
2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol has a molecular weight of 1082.33 g/mol, XLogP of 7.10, 11 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-4-carbonitrile;molecular hydrogen;[2-piperazin-1-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 158949565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).