1-cyclopentyl-N-[[5-[3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine

C103H76F6N32 — CID 162194534

About 1-cyclopentyl-N-[[5-[3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine

1-cyclopentyl-N-[[5-[3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 162194534) has the molecular formula C103H76F6N32 and a molecular weight of 1875.95 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-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-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 162194534
• Molecular Formula: C103H76F6N32
• Molecular Weight: 1875.95 g/mol
• Exact Mass: 1874.68
• IUPAC Name: 1-cyclopentyl-N-[[5-[3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
• SMILES: Fc1cccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)c1.Fc1cccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)c1.Fc1cccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncnc6)cc45)nc23)c1.Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(F)cc6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C30H27FN8.C28H21F3N8.C23H15FN8.C22H13FN8/c31-23-7-3-6-20(9-23)25-16-34-17-26-27(25)37-30(36-26)28-24-10-22(15-35-29(24)39-38-28)21-8-19(13-33-14-21)12-32-11-18-4-1-2-5-18;29-20-3-1-2-17(7-20)22-12-33-13-23-24(22)36-27(35-23)25-21-8-19(11-34-26(21)38-37-25)18-6-16(9-32-10-18)14-39-5-4-28(30,31)15-39;24-15-3-1-12(2-4-15)18-10-27-11-19-20(18)30-23(29-19)21-17-6-14(8-28-22(17)32-31-21)13-5-16(25)9-26-7-13;23-15-3-1-2-12(4-15)17-9-24-10-18-19(17)29-22(28-18)20-16-5-13(8-27-21(16)31-30-20)14-6-25-11-26-7-14/h3,6-10,13-18,32H,1-2,4-5,11-12H2,(H,36,37)(H,35,38,39);1-3,6-13H,4-5,14-15H2,(H,35,36)(H,34,37,38);1-11H,25H2,(H,29,30)(H,28,31,32);1-11H,(H,28,29)(H,27,30,31)
• InChIKey: ZQTNLARGGKOURL-UHFFFAOYSA-N
• XLogP: 20.16
• TPSA: 438.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1875.95
LogP ≤ 5	20.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[5-[3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-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-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (CID 162194534) is 1-cyclopentyl-N-[[5-[3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-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-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-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-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is Fc1cccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)c1.Fc1cccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)c1.Fc1cccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncnc6)cc45)nc23)c1.Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(F)cc6)cncc5[nH]4)c3c2)c1.

What is the InChIKey of 1-cyclopentyl-N-[[5-[3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is ZQTNLARGGKOURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN8.C28H21F3N8.C23H15FN8.C22H13FN8/c31-23-7-3-6-20(9-23)25-16-34-17-26-27(25)37-30(36-26)28-24-10-22(15-35-29(24)39-38-28)21-8-19(13-33-14-21)12-32-11-18-4-1-2-5-18;29-20-3-1-2-17(7-20)22-12-33-13-23-24(22)36-27(35-23)25-21-8-19(11-34-26(21)38-37-25)18-6-16(9-32-10-18)14-39-5-4-28(30,31)15-39;24-15-3-1-12(2-4-15)18-10-27-11-19-20(18)30-23(29-19)21-17-6-14(8-28-22(17)32-31-21)13-5-16(25)9-26-7-13;23-15-3-1-2-12(4-15)17-9-24-10-18-19(17)29-22(28-18)20-16-5-13(8-27-21(16)31-30-20)14-6-25-11-26-7-14/h3,6-10,13-18,32H,1-2,4-5,11-12H2,(H,36,37)(H,35,38,39);1-3,6-13H,4-5,14-15H2,(H,35,36)(H,34,37,38);1-11H,25H2,(H,29,30)(H,28,31,32);1-11H,(H,28,29)(H,27,30,31).

What are the key properties of 1-cyclopentyl-N-[[5-[3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?

1-cyclopentyl-N-[[5-[3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 1875.95 g/mol, XLogP of 20.16, 18 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-N-[[5-[3-[7-(3-fluorophenyl)-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-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162194534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).