7-[(2,6-dichloro-3-methoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol;2-[4-[7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]pyrazol-1-yl]ethanol;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine

C285H302Cl2F22N66O25 — CID 157191758

About 7-[(2,6-dichloro-3-methoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol;2-[4-[7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]pyrazol-1-yl]ethanol;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine

7-[(2,6-dichloro-3-methoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol;2-[4-[7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]pyrazol-1-yl]ethanol;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 157191758) has the molecular formula C285H302Cl2F22N66O25 and a molecular weight of 5540.85 g/mol. Its IUPAC name is 7-[(2,6-dichloro-3-methoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol;2-[4-[7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]pyrazol-1-yl]ethanol;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 7-[(2,6-dichloro-3-methoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol;2-[4-[7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]pyrazol-1-yl]ethanol;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 157191758
• Molecular Formula: C285H302Cl2F22N66O25
• Molecular Weight: 5540.85 g/mol
• Exact Mass: 5536.34
• IUPAC Name: 7-[(2,6-dichloro-3-methoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol;2-[4-[7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]pyrazol-1-yl]ethanol;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine
• SMILES: CCN1CCC(n2cc(-c3cnc4[nH]cc(Cc5c(F)c(OC)cc(OC)c5F)c4c3)cn2)CC1.CCN1CCC(n2cc(-c3cnc4[nH]cc(Cc5c(F)c(OC)cc(OC)c5F)c4n3)cn2)CC1.CCN1CCC(n2cc(-c3cnc4n[nH]c(Cc5c(F)c(OC)cc(OC)c5F)c4c3)cn2)CC1.CCN1CCC(n2cc(-c3cnc4n[nH]c(Cc5c(F)ccc(OC)c5F)c4c3)cn2)CC1.COc1cc(OC)c(F)c(Cc2[nH]nc3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1F.COc1cc(OC)c(F)c(Cc2[nH]nc3ncc(-c4cnn(CCO)c4)cc23)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCN(C(C)=O)CC5)c4)cc23)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCN(C(C)C)CC5)c4)cc23)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)nc23)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(CCO)c4)nc23)c1F.COc1ccc(Cl)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)nc23)c1Cl
• InChI: InChI=1S/C27H31F2N5O2.C26H27F2N5O3.C26H29F2N5O2.2C25H28F2N6O2.C24H26F2N6O.C24H25F2N5O2.2C23H24F2N6O2.C22H22Cl2N6O.2C20H19F2N5O3/c1-16(2)33-7-5-20(6-8-33)34-15-19(14-32-34)17-9-21-18(13-31-27(21)30-12-17)10-22-25(28)23(35-3)11-24(36-4)26(22)29;1-15(34)32-6-4-19(5-7-32)33-14-18(13-31-33)16-8-20-17(12-30-26(20)29-11-16)9-21-24(27)22(35-2)10-23(36-3)25(21)28;1-4-32-7-5-19(6-8-32)33-15-18(14-31-33)16-9-20-17(13-30-26(20)29-12-16)10-21-24(27)22(34-2)11-23(35-3)25(21)28;1-4-32-7-5-17(6-8-32)33-14-16(13-29-33)15-9-18-20(30-31-25(18)28-12-15)10-19-23(26)21(34-2)11-22(35-3)24(19)27;1-4-32-7-5-17(6-8-32)33-14-16(12-30-33)19-13-29-25-24(31-19)15(11-28-25)9-18-22(26)20(34-2)10-21(35-3)23(18)27;1-3-31-8-6-17(7-9-31)32-14-16(13-28-32)15-10-19-21(29-30-24(19)27-12-15)11-18-20(25)4-5-22(33-2)23(18)26;1-32-20-9-21(33-2)23(26)19(22(20)25)8-15-11-29-24-18(15)7-14(10-28-24)16-12-30-31(13-16)17-3-5-27-6-4-17;1-32-19-9-20(33-2)22(25)17(21(19)24)8-18-16-7-13(10-27-23(16)30-29-18)14-11-28-31(12-14)15-3-5-26-6-4-15;1-32-18-8-19(33-2)21(25)16(20(18)24)7-13-9-27-23-22(13)30-17(11-28-23)14-10-29-31(12-14)15-3-5-26-6-4-15;1-31-19-3-2-17(23)16(20(19)24)8-13-9-26-22-21(13)29-18(11-27-22)14-10-28-30(12-14)15-4-6-25-7-5-15;1-29-16-7-17(30-2)19(22)14(18(16)21)6-15-13-5-11(8-23-20(13)26-25-15)12-9-24-27(10-12)3-4-28;1-29-15-6-16(30-2)18(22)13(17(15)21)5-11-7-23-20-19(11)26-14(9-24-20)12-8-25-27(10-12)3-4-28/h9,11-16,20H,5-8,10H2,1-4H3,(H,30,31);8,10-14,19H,4-7,9H2,1-3H3,(H,29,30);9,11-15,19H,4-8,10H2,1-3H3,(H,29,30);9,11-14,17H,4-8,10H2,1-3H3,(H,28,30,31);10-14,17H,4-9H2,1-3H3,(H,28,29);4-5,10,12-14,17H,3,6-9,11H2,1-2H3,(H,27,29,30);7,9-13,17,27H,3-6,8H2,1-2H3,(H,28,29);7,9-12,15,26H,3-6,8H2,1-2H3,(H,27,29,30);8-12,15,26H,3-7H2,1-2H3,(H,27,28);2-3,9-12,15,25H,4-8H2,1H3,(H,26,27);5,7-10,28H,3-4,6H2,1-2H3,(H,23,25,26);6-10,28H,3-5H2,1-2H3,(H,23,24)
• InChIKey: APTWBFWXIPQOBZ-UHFFFAOYSA-N
• XLogP: 49.46
• TPSA: 989.27 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 78
• Rotatable Bonds: 77
• Heavy Atoms: 400
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5540.85
LogP ≤ 5	49.46
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	78

Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-dichloro-3-methoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol;2-[4-[7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]pyrazol-1-yl]ethanol;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine?

The IUPAC name of 7-[(2,6-dichloro-3-methoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol;2-[4-[7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]pyrazol-1-yl]ethanol;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine (CID 157191758) is 7-[(2,6-dichloro-3-methoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol;2-[4-[7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]pyrazol-1-yl]ethanol;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for 7-[(2,6-dichloro-3-methoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol;2-[4-[7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]pyrazol-1-yl]ethanol;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for 7-[(2,6-dichloro-3-methoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol;2-[4-[7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]pyrazol-1-yl]ethanol;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine is CCN1CCC(n2cc(-c3cnc4[nH]cc(Cc5c(F)c(OC)cc(OC)c5F)c4c3)cn2)CC1.CCN1CCC(n2cc(-c3cnc4[nH]cc(Cc5c(F)c(OC)cc(OC)c5F)c4n3)cn2)CC1.CCN1CCC(n2cc(-c3cnc4n[nH]c(Cc5c(F)c(OC)cc(OC)c5F)c4c3)cn2)CC1.CCN1CCC(n2cc(-c3cnc4n[nH]c(Cc5c(F)ccc(OC)c5F)c4c3)cn2)CC1.COc1cc(OC)c(F)c(Cc2[nH]nc3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1F.COc1cc(OC)c(F)c(Cc2[nH]nc3ncc(-c4cnn(CCO)c4)cc23)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCN(C(C)=O)CC5)c4)cc23)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCN(C(C)C)CC5)c4)cc23)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)nc23)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(CCO)c4)nc23)c1F.COc1ccc(Cl)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)nc23)c1Cl.

What is the InChIKey of 7-[(2,6-dichloro-3-methoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol;2-[4-[7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]pyrazol-1-yl]ethanol;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is APTWBFWXIPQOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N5O2.C26H27F2N5O3.C26H29F2N5O2.2C25H28F2N6O2.C24H26F2N6O.C24H25F2N5O2.2C23H24F2N6O2.C22H22Cl2N6O.2C20H19F2N5O3/c1-16(2)33-7-5-20(6-8-33)34-15-19(14-32-34)17-9-21-18(13-31-27(21)30-12-17)10-22-25(28)23(35-3)11-24(36-4)26(22)29;1-15(34)32-6-4-19(5-7-32)33-14-18(13-31-33)16-8-20-17(12-30-26(20)29-11-16)9-21-24(27)22(35-2)10-23(36-3)25(21)28;1-4-32-7-5-19(6-8-32)33-15-18(14-31-33)16-9-20-17(13-30-26(20)29-12-16)10-21-24(27)22(34-2)11-23(35-3)25(21)28;1-4-32-7-5-17(6-8-32)33-14-16(13-29-33)15-9-18-20(30-31-25(18)28-12-15)10-19-23(26)21(34-2)11-22(35-3)24(19)27;1-4-32-7-5-17(6-8-32)33-14-16(12-30-33)19-13-29-25-24(31-19)15(11-28-25)9-18-22(26)20(34-2)10-21(35-3)23(18)27;1-3-31-8-6-17(7-9-31)32-14-16(13-28-32)15-10-19-21(29-30-24(19)27-12-15)11-18-20(25)4-5-22(33-2)23(18)26;1-32-20-9-21(33-2)23(26)19(22(20)25)8-15-11-29-24-18(15)7-14(10-28-24)16-12-30-31(13-16)17-3-5-27-6-4-17;1-32-19-9-20(33-2)22(25)17(21(19)24)8-18-16-7-13(10-27-23(16)30-29-18)14-11-28-31(12-14)15-3-5-26-6-4-15;1-32-18-8-19(33-2)21(25)16(20(18)24)7-13-9-27-23-22(13)30-17(11-28-23)14-10-29-31(12-14)15-3-5-26-6-4-15;1-31-19-3-2-17(23)16(20(19)24)8-13-9-26-22-21(13)29-18(11-27-22)14-10-28-30(12-14)15-4-6-25-7-5-15;1-29-16-7-17(30-2)19(22)14(18(16)21)6-15-13-5-11(8-23-20(13)26-25-15)12-9-24-27(10-12)3-4-28;1-29-15-6-16(30-2)18(22)13(17(15)21)5-11-7-23-20-19(11)26-14(9-24-20)12-8-25-27(10-12)3-4-28/h9,11-16,20H,5-8,10H2,1-4H3,(H,30,31);8,10-14,19H,4-7,9H2,1-3H3,(H,29,30);9,11-15,19H,4-8,10H2,1-3H3,(H,29,30);9,11-14,17H,4-8,10H2,1-3H3,(H,28,30,31);10-14,17H,4-9H2,1-3H3,(H,28,29);4-5,10,12-14,17H,3,6-9,11H2,1-2H3,(H,27,29,30);7,9-13,17,27H,3-6,8H2,1-2H3,(H,28,29);7,9-12,15,26H,3-6,8H2,1-2H3,(H,27,29,30);8-12,15,26H,3-7H2,1-2H3,(H,27,28);2-3,9-12,15,25H,4-8H2,1H3,(H,26,27);5,7-10,28H,3-4,6H2,1-2H3,(H,23,25,26);6-10,28H,3-5H2,1-2H3,(H,23,24).

What are the key properties of 7-[(2,6-dichloro-3-methoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol;2-[4-[7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]pyrazol-1-yl]ethanol;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine?

7-[(2,6-dichloro-3-methoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol;2-[4-[7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]pyrazol-1-yl]ethanol;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 5540.85 g/mol, XLogP of 49.46, 77 rotatable bonds, 18 hydrogen bond donors, and 78 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2,6-dichloro-3-methoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2-(1-piperidin-4-ylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol;2-[4-[7-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]pyrazol-1-yl]ethanol;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 157191758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).