1-[(2R)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;1-[(2R)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;methane

C133H126Cl2F14N34O6S — CID 158898333

About 1-[(2R)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;1-[(2R)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;methane

1-[(2R)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;1-[(2R)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;methane (PubChem CID 158898333) has the molecular formula C133H126Cl2F14N34O6S and a molecular weight of 2665.65 g/mol. Its IUPAC name is 1-[(2R)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;1-[(2R)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;methane.

Molecular Properties

• Compound Name: 1-[(2R)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;1-[(2R)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;methane
• PubChem CID: 158898333
• Molecular Formula: C133H126Cl2F14N34O6S
• Molecular Weight: 2665.65 g/mol
• Exact Mass: 2662.95
• IUPAC Name: 1-[(2R)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;1-[(2R)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;methane
• SMILES: C.CC(=O)[C@@H]1C2CCC(CC2)C1Nc1nc(-c2[nH]nc3ncc(Cl)cc23)c(F)cc1F.CC(=O)[C@H]1C2CCC(CC2)C1Nc1nc(-c2[nH]nc3ncc(Cl)cc23)c(F)cc1F.Cc1cc(C(=O)N[C@@H]2CCCC(Nc3nc(-c4[nH]nc5ncc(F)cc45)c(F)cc3F)C2)cs1.O=C(N[C@@H]1CCCC(Nc2nc(-c3[nH]nc4ncc(F)cc34)c(F)cc2F)C1)C1=CCC=C1.[C-]#[N+]c1cc(F)c(NC2C3CCC(CC3)[C@@H]2C(C)=O)nc1-c1[nH]nc2ncc(F)cc12.[C-]#[N+]c1cc(F)c(NC2C3CCC(CC3)[C@H]2C(C)=O)nc1-c1[nH]nc2ncc(F)cc12
• InChI: InChI=1S/C23H21F3N6OS.C23H21F3N6O.2C22H20F2N6O.2C21H20ClF2N5O.CH4/c1-11-5-12(10-34-11)23(33)29-15-4-2-3-14(7-15)28-22-18(26)8-17(25)20(30-22)19-16-6-13(24)9-27-21(16)32-31-19;24-13-8-16-19(31-32-21(16)27-11-13)20-17(25)10-18(26)22(30-20)28-14-6-3-7-15(9-14)29-23(33)12-4-1-2-5-12;2*1-10(31)17-11-3-5-12(6-4-11)18(17)27-22-15(24)8-16(25-2)20(28-22)19-14-7-13(23)9-26-21(14)30-29-19;2*1-9(30)16-10-2-4-11(5-3-10)17(16)26-21-15(24)7-14(23)19(27-21)18-13-6-12(22)8-25-20(13)29-28-18;/h5-6,8-10,14-15H,2-4,7H2,1H3,(H,28,30)(H,29,33)(H,27,31,32);1,4-5,8,10-11,14-15H,2-3,6-7,9H2,(H,28,30)(H,29,33)(H,27,31,32);2*7-9,11-12,17-18H,3-6H2,1H3,(H,27,28)(H,26,29,30);2*6-8,10-11,16-17H,2-5H2,1H3,(H,26,27)(H,25,28,29);1H4/t2*14?,15-;2*11?,12?,17-,18?;2*10?,11?,16-,17?;/m111010./s1
• InChIKey: JFCQUFOCDKQGKH-OIUDOVFMSA-N
• XLogP: 28.58
• TPSA: 534.14 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2665.65
LogP ≤ 5	28.58
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;1-[(2R)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;methane?

The IUPAC name of 1-[(2R)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;1-[(2R)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;methane (CID 158898333) is 1-[(2R)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;1-[(2R)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;methane.

What is the SMILES notation for 1-[(2R)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;1-[(2R)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;methane?

The canonical SMILES for 1-[(2R)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;1-[(2R)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;methane is C.CC(=O)[C@@H]1C2CCC(CC2)C1Nc1nc(-c2[nH]nc3ncc(Cl)cc23)c(F)cc1F.CC(=O)[C@H]1C2CCC(CC2)C1Nc1nc(-c2[nH]nc3ncc(Cl)cc23)c(F)cc1F.Cc1cc(C(=O)N[C@@H]2CCCC(Nc3nc(-c4[nH]nc5ncc(F)cc45)c(F)cc3F)C2)cs1.O=C(N[C@@H]1CCCC(Nc2nc(-c3[nH]nc4ncc(F)cc34)c(F)cc2F)C1)C1=CCC=C1.[C-]#[N+]c1cc(F)c(NC2C3CCC(CC3)[C@@H]2C(C)=O)nc1-c1[nH]nc2ncc(F)cc12.[C-]#[N+]c1cc(F)c(NC2C3CCC(CC3)[C@H]2C(C)=O)nc1-c1[nH]nc2ncc(F)cc12.

What is the InChIKey of 1-[(2R)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;1-[(2R)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;methane?

The InChIKey is JFCQUFOCDKQGKH-OIUDOVFMSA-N. The full InChI is InChI=1S/C23H21F3N6OS.C23H21F3N6O.2C22H20F2N6O.2C21H20ClF2N5O.CH4/c1-11-5-12(10-34-11)23(33)29-15-4-2-3-14(7-15)28-22-18(26)8-17(25)20(30-22)19-16-6-13(24)9-27-21(16)32-31-19;24-13-8-16-19(31-32-21(16)27-11-13)20-17(25)10-18(26)22(30-20)28-14-6-3-7-15(9-14)29-23(33)12-4-1-2-5-12;2*1-10(31)17-11-3-5-12(6-4-11)18(17)27-22-15(24)8-16(25-2)20(28-22)19-14-7-13(23)9-26-21(14)30-29-19;2*1-9(30)16-10-2-4-11(5-3-10)17(16)26-21-15(24)7-14(23)19(27-21)18-13-6-12(22)8-25-20(13)29-28-18;/h5-6,8-10,14-15H,2-4,7H2,1H3,(H,28,30)(H,29,33)(H,27,31,32);1,4-5,8,10-11,14-15H,2-3,6-7,9H2,(H,28,30)(H,29,33)(H,27,31,32);2*7-9,11-12,17-18H,3-6H2,1H3,(H,27,28)(H,26,29,30);2*6-8,10-11,16-17H,2-5H2,1H3,(H,26,27)(H,25,28,29);1H4/t2*14?,15-;2*11?,12?,17-,18?;2*10?,11?,16-,17?;/m111010./s1.

What are the key properties of 1-[(2R)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;1-[(2R)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;methane?

1-[(2R)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;1-[(2R)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;methane has a molecular weight of 2665.65 g/mol, XLogP of 28.58, 26 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3,5-difluoro-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;1-[(2R)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;1-[(2S)-3-[[3-fluoro-6-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-isocyano-2-pyridinyl]amino]-2-bicyclo[2.2.2]octanyl]ethanone;methane is sourced from PubChem (CID 158898333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).