1-cyclopentyl-N-[[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine

C101H99F2N37O — CID 159026398

About 1-cyclopentyl-N-[[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine

1-cyclopentyl-N-[[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 159026398) has the molecular formula C101H99F2N37O and a molecular weight of 1885.16 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 1-cyclopentyl-N-[[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 159026398
• Molecular Formula: C101H99F2N37O
• Molecular Weight: 1885.16 g/mol
• Exact Mass: 1883.88
• IUPAC Name: 1-cyclopentyl-N-[[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
• SMILES: CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-n6cnc(C)c6)cncc5[nH]4)c3c2)c1.FC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(N7CCCCC7)cncc6[nH]5)c4c3)c2)C1.c1ncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)cc1CNCC1CCCC1.c1ncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)cn1
• InChI: InChI=1S/C29H33N9.C27H27F2N9.C24H20N10O.C21H19N9/c1-4-8-38(9-5-1)25-18-32-17-24-27(25)35-29(34-24)26-23-11-22(16-33-28(23)37-36-26)21-10-20(14-31-15-21)13-30-12-19-6-2-3-7-19;28-27(29)4-7-37(16-27)15-17-8-18(11-30-10-17)19-9-20-23(35-36-25(20)32-12-19)26-33-21-13-31-14-22(24(21)34-26)38-5-2-1-3-6-38;1-3-20(35)29-16-4-14(6-25-8-16)15-5-17-21(32-33-23(17)27-7-15)24-30-18-9-26-10-19(22(18)31-24)34-11-13(2)28-12-34;1-2-4-30(5-3-1)17-11-22-10-16-19(17)27-21(26-16)18-15-6-13(9-25-20(15)29-28-18)14-7-23-12-24-8-14/h10-11,14-19,30H,1-9,12-13H2,(H,34,35)(H,33,36,37);8-14H,1-7,15-16H2,(H,33,34)(H,32,35,36);4-12H,3H2,1-2H3,(H,29,35)(H,30,31)(H,27,32,33);6-12H,1-5H2,(H,26,27)(H,25,28,29)
• InChIKey: JUIHCHBMWICMPS-UHFFFAOYSA-N
• XLogP: 17.16
• TPSA: 468.92 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1885.16
LogP ≤ 5	17.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?

The IUPAC name of 1-cyclopentyl-N-[[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (CID 159026398) is 1-cyclopentyl-N-[[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for 1-cyclopentyl-N-[[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for 1-cyclopentyl-N-[[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-n6cnc(C)c6)cncc5[nH]4)c3c2)c1.FC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(N7CCCCC7)cncc6[nH]5)c4c3)c2)C1.c1ncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)cc1CNCC1CCCC1.c1ncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)cn1.

What is the InChIKey of 1-cyclopentyl-N-[[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is JUIHCHBMWICMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N9.C27H27F2N9.C24H20N10O.C21H19N9/c1-4-8-38(9-5-1)25-18-32-17-24-27(25)35-29(34-24)26-23-11-22(16-33-28(23)37-36-26)21-10-20(14-31-15-21)13-30-12-19-6-2-3-7-19;28-27(29)4-7-37(16-27)15-17-8-18(11-30-10-17)19-9-20-23(35-36-25(20)32-12-19)26-33-21-13-31-14-22(24(21)34-26)38-5-2-1-3-6-38;1-3-20(35)29-16-4-14(6-25-8-16)15-5-17-21(32-33-23(17)27-7-15)24-30-18-9-26-10-19(22(18)31-24)34-11-13(2)28-12-34;1-2-4-30(5-3-1)17-11-22-10-16-19(17)27-21(26-16)18-15-6-13(9-25-20(15)29-28-18)14-7-23-12-24-8-14/h10-11,14-19,30H,1-9,12-13H2,(H,34,35)(H,33,36,37);8-14H,1-7,15-16H2,(H,33,34)(H,32,35,36);4-12H,3H2,1-2H3,(H,29,35)(H,30,31)(H,27,32,33);6-12H,1-5H2,(H,26,27)(H,25,28,29).

What are the key properties of 1-cyclopentyl-N-[[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?

1-cyclopentyl-N-[[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 1885.16 g/mol, XLogP of 17.16, 20 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-N-[[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 159026398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).