2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen

C62H78F8N18O — CID 158005873

IUPAC2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen
SMILESCC(C)C(C)(O)C1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1.CC(C)CC1(C#N)CCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1.CCC1(C)CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCC1N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H23F3N6.C20H23F3N6.C20H24F2N6O.4H2/c1-14(2)12-21(13-26)7-10-31(11-8-21)17-6-5-16(22(23,24)25)19(28-17)18-15-4-3-9-27-20(15)30-29-18;1-3-19(2)11-29(10-8-14(19)24)15-7-6-13(20(21,22)23)17(26-15)16-12-5-4-9-25-18(12)28-27-16;1-11(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;;;;/h3-6,9,14H,7-8,10-12H2,1-2H3,(H,27,29,30);4-7,9,14H,3,8,10-11,24H2,1-2H3,(H,25,27,28);4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27);4*1H
InChIKeyFEHBAEDYBMVUCI-UHFFFAOYSA-N
MW1243.41 g/mol
LogP12.65
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;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen

2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen (PubChem CID 158005873) has the molecular formula C62H78F8N18O and a molecular weight of 1243.41 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;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen.

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;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen
PubChem CID158005873
Molecular FormulaC62H78F8N18O
Molecular Weight1243.41 g/mol
Exact Mass1242.65
IUPAC Name2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen
SMILESCC(C)C(C)(O)C1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1.CC(C)CC1(C#N)CCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1.CCC1(C)CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCC1N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H23F3N6.C20H23F3N6.C20H24F2N6O.4H2/c1-14(2)12-21(13-26)7-10-31(11-8-21)17-6-5-16(22(23,24)25)19(28-17)18-15-4-3-9-27-20(15)30-29-18;1-3-19(2)11-29(10-8-14(19)24)15-7-6-13(20(21,22)23)17(26-15)16-12-5-4-9-25-18(12)28-27-16;1-11(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;;;;/h3-6,9,14H,7-8,10-12H2,1-2H3,(H,27,29,30);4-7,9,14H,3,8,10-11,24H2,1-2H3,(H,25,27,28);4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27);4*1H
InChIKeyFEHBAEDYBMVUCI-UHFFFAOYSA-N
XLogP12.65
TPSA255.17 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001243.41
LogP ≤ 512.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen with MolForge

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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
(R)-2-((S)-4-(3-chloro-5-fluoro-6-(1H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl)piperazin-2-yl)-3-methylbutan-2-ol
CID 53354074
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-[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
(2R)-2-[(2R)-4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 71583245
(2R)-3-methyl-2-[(2S)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]butan-2-ol
CID 71583247
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137145040
2-(4-(3-chloro-5-fluoro-6-(1H-pyrazolo(3,4-b)pyridin-3-yl)pyridin-2-yl)piperazin-2-yl)-3-methylbutan-2-ol
CID 76020395
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137116529

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;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen?
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;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen (CID 158005873) is 2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen.
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;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen?
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;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen is CC(C)C(C)(O)C1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1.CC(C)CC1(C#N)CCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1.CCC1(C)CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCC1N.[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;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen?
The InChIKey is FEHBAEDYBMVUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6.C20H23F3N6.C20H24F2N6O.4H2/c1-14(2)12-21(13-26)7-10-31(11-8-21)17-6-5-16(22(23,24)25)19(28-17)18-15-4-3-9-27-20(15)30-29-18;1-3-19(2)11-29(10-8-14(19)24)15-7-6-13(20(21,22)23)17(26-15)16-12-5-4-9-25-18(12)28-27-16;1-11(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;;;;/h3-6,9,14H,7-8,10-12H2,1-2H3,(H,27,29,30);4-7,9,14H,3,8,10-11,24H2,1-2H3,(H,25,27,28);4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27);4*1H.
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;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen?
2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen has a molecular weight of 1243.41 g/mol, XLogP of 12.65, 11 rotatable bonds, 6 hydrogen bond donors, and 16 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;3-ethyl-3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;4-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen is sourced from PubChem (CID 158005873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).