2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide

C108H81F7N32O2 — CID 159281020

About 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide

2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 159281020) has the molecular formula C108H81F7N32O2 and a molecular weight of 1992.04 g/mol. Its IUPAC name is 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 159281020
• Molecular Formula: C108H81F7N32O2
• Molecular Weight: 1992.04 g/mol
• Exact Mass: 1990.71
• IUPAC Name: 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
• SMILES: CC(C)(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1.Fc1cccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCC7)c6)cc45)nc23)c1.Fc1cccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCCC7)c6)cc45)nc23)c1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1)C(F)(F)F
• InChI: InChI=1S/C28H23FN8O.C28H23FN8.C27H21FN8.C25H14F4N8O/c1-28(2,3)27(38)33-19-8-16(10-30-12-19)17-9-20-24(36-37-25(20)32-11-17)26-34-22-14-31-13-21(23(22)35-26)15-5-4-6-18(29)7-15;29-21-5-3-4-18(9-21)23-14-31-15-24-25(23)34-28(33-24)26-22-10-20(13-32-27(22)36-35-26)19-8-17(11-30-12-19)16-37-6-1-2-7-37;28-20-4-1-3-17(8-20)22-13-30-14-23-24(22)33-27(32-23)25-21-9-19(12-31-26(21)35-34-25)18-7-16(10-29-11-18)15-36-5-2-6-36;26-15-3-1-2-12(4-15)18-10-31-11-19-20(18)35-23(34-19)21-17-6-14(8-32-22(17)37-36-21)13-5-16(9-30-7-13)33-24(38)25(27,28)29/h4-14H,1-3H3,(H,33,38)(H,34,35)(H,32,36,37);3-5,8-15H,1-2,6-7,16H2,(H,33,34)(H,32,35,36);1,3-4,7-14H,2,5-6,15H2,(H,32,33)(H,31,34,35);1-11H,(H,33,38)(H,34,35)(H,32,36,37)
• InChIKey: KYXNCGWRXOPKKP-UHFFFAOYSA-N
• XLogP: 21.34
• TPSA: 448.80 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1992.04
LogP ≤ 5	21.34
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The IUPAC name of 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 159281020) is 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide.

What is the SMILES notation for 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The canonical SMILES for 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide is CC(C)(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1.Fc1cccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCC7)c6)cc45)nc23)c1.Fc1cccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCCC7)c6)cc45)nc23)c1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1)C(F)(F)F.

What is the InChIKey of 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The InChIKey is KYXNCGWRXOPKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN8O.C28H23FN8.C27H21FN8.C25H14F4N8O/c1-28(2,3)27(38)33-19-8-16(10-30-12-19)17-9-20-24(36-37-25(20)32-11-17)26-34-22-14-31-13-21(23(22)35-26)15-5-4-6-18(29)7-15;29-21-5-3-4-18(9-21)23-14-31-15-24-25(23)34-28(33-24)26-22-10-20(13-32-27(22)36-35-26)19-8-17(11-30-12-19)16-37-6-1-2-7-37;28-20-4-1-3-17(8-20)22-13-30-14-23-24(22)33-27(32-23)25-21-9-19(12-31-26(21)35-34-25)18-7-16(10-29-11-18)15-36-5-2-6-36;26-15-3-1-2-12(4-15)18-10-31-11-19-20(18)35-23(34-19)21-17-6-14(8-32-22(17)37-36-21)13-5-16(9-30-7-13)33-24(38)25(27,28)29/h4-14H,1-3H3,(H,33,38)(H,34,35)(H,32,36,37);3-5,8-15H,1-2,6-7,16H2,(H,33,34)(H,32,35,36);1,3-4,7-14H,2,5-6,15H2,(H,32,33)(H,31,34,35);1-11H,(H,33,38)(H,34,35)(H,32,36,37).

What are the key properties of 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide?

2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 1992.04 g/mol, XLogP of 21.34, 18 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 159281020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).