1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol

C75H82ClF7N24O4 — CID 159767785

IUPAC1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1.CCC(O)(CC)[C@@H]1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1.OC1(C2CN(c3nc(-c4[nH]nc5ncccc45)c(F)cc3F)CCN2)CCC1.OC1([C@@H]2CN(c3nc(-c4[nH]nc5ncccc45)c(F)cc3Cl)CCN2)CC1
InChIInChI=1S/C20H24F2N6O.C19H20F2N6O.C18H18ClFN6O.C18H20F2N6O/c1-3-20(29,4-2)15-11-28(9-8-23-15)19-14(22)10-13(21)17(25-19)16-12-6-5-7-24-18(12)27-26-16;20-12-9-13(21)18(27-8-7-22-14(10-27)19(28)4-2-5-19)24-16(12)15-11-3-1-6-23-17(11)26-25-15;19-11-8-12(20)15(14-10-2-1-5-22-16(10)25-24-14)23-17(11)26-7-6-21-13(9-26)18(27)3-4-18;1-18(2,27)13-9-26(7-6-21-13)17-12(20)8-11(19)15(23-17)14-10-4-3-5-22-16(10)25-24-14/h5-7,10,15,23,29H,3-4,8-9,11H2,1-2H3,(H,24,26,27);1,3,6,9,14,22,28H,2,4-5,7-8,10H2,(H,23,25,26);1-2,5,8,13,21,27H,3-4,6-7,9H2,(H,22,24,25);3-5,8,13,21,27H,6-7,9H2,1-2H3,(H,22,24,25)/t15-;;2*13-/m0.00/s1
InChIKeyNFSLTCJUECSZEA-TWHLNGSRSA-N
MW1552.08 g/mol
LogP8.58
Rot. Bonds14

About 1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol

1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol (PubChem CID 159767785) has the molecular formula C75H82ClF7N24O4 and a molecular weight of 1552.08 g/mol. Its IUPAC name is 1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol
PubChem CID159767785
Molecular FormulaC75H82ClF7N24O4
Molecular Weight1552.08 g/mol
Exact Mass1550.65
IUPAC Name1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1.CCC(O)(CC)[C@@H]1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1.OC1(C2CN(c3nc(-c4[nH]nc5ncccc45)c(F)cc3F)CCN2)CCC1.OC1([C@@H]2CN(c3nc(-c4[nH]nc5ncccc45)c(F)cc3Cl)CCN2)CC1
InChIInChI=1S/C20H24F2N6O.C19H20F2N6O.C18H18ClFN6O.C18H20F2N6O/c1-3-20(29,4-2)15-11-28(9-8-23-15)19-14(22)10-13(21)17(25-19)16-12-6-5-7-24-18(12)27-26-16;20-12-9-13(21)18(27-8-7-22-14(10-27)19(28)4-2-5-19)24-16(12)15-11-3-1-6-23-17(11)26-25-15;19-11-8-12(20)15(14-10-2-1-5-22-16(10)25-24-14)23-17(11)26-7-6-21-13(9-26)18(27)3-4-18;1-18(2,27)13-9-26(7-6-21-13)17-12(20)8-11(19)15(23-17)14-10-4-3-5-22-16(10)25-24-14/h5-7,10,15,23,29H,3-4,8-9,11H2,1-2H3,(H,24,26,27);1,3,6,9,14,22,28H,2,4-5,7-8,10H2,(H,23,25,26);1-2,5,8,13,21,27H,3-4,6-7,9H2,(H,22,24,25);3-5,8,13,21,27H,6-7,9H2,1-2H3,(H,22,24,25)/t15-;;2*13-/m0.00/s1
InChIKeyNFSLTCJUECSZEA-TWHLNGSRSA-N
XLogP8.58
TPSA359.84 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001552.08
LogP ≤ 58.58
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(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
(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
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-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-1-phenylethanol
CID 67949892
3-[3-fluoro-6-[3-(2-methoxypropan-2-yl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949776
1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen
CID 160738314
[(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
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
3-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol
CID 67949815
3-[3-fluoro-6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
CID 160924712

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol?
The IUPAC name of 1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol (CID 159767785) is 1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol?
The canonical SMILES for 1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol is CC(C)(O)[C@@H]1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1.CCC(O)(CC)[C@@H]1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1.OC1(C2CN(c3nc(-c4[nH]nc5ncccc45)c(F)cc3F)CCN2)CCC1.OC1([C@@H]2CN(c3nc(-c4[nH]nc5ncccc45)c(F)cc3Cl)CCN2)CC1.
What is the InChIKey of 1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol?
The InChIKey is NFSLTCJUECSZEA-TWHLNGSRSA-N. The full InChI is InChI=1S/C20H24F2N6O.C19H20F2N6O.C18H18ClFN6O.C18H20F2N6O/c1-3-20(29,4-2)15-11-28(9-8-23-15)19-14(22)10-13(21)17(25-19)16-12-6-5-7-24-18(12)27-26-16;20-12-9-13(21)18(27-8-7-22-14(10-27)19(28)4-2-5-19)24-16(12)15-11-3-1-6-23-17(11)26-25-15;19-11-8-12(20)15(14-10-2-1-5-22-16(10)25-24-14)23-17(11)26-7-6-21-13(9-26)18(27)3-4-18;1-18(2,27)13-9-26(7-6-21-13)17-12(20)8-11(19)15(23-17)14-10-4-3-5-22-16(10)25-24-14/h5-7,10,15,23,29H,3-4,8-9,11H2,1-2H3,(H,24,26,27);1,3,6,9,14,22,28H,2,4-5,7-8,10H2,(H,23,25,26);1-2,5,8,13,21,27H,3-4,6-7,9H2,(H,22,24,25);3-5,8,13,21,27H,6-7,9H2,1-2H3,(H,22,24,25)/t15-;;2*13-/m0.00/s1.
What are the key properties of 1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol?
1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol has a molecular weight of 1552.08 g/mol, XLogP of 8.58, 14 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclopropan-1-ol;1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol;2-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-2-ol is sourced from PubChem (CID 159767785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).