1-[6-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]-N-methylazetidin-3-amine;3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine

C47H34F2N18 — CID 145033684

About 1-[6-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]-N-methylazetidin-3-amine;3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine

1-[6-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]-N-methylazetidin-3-amine;3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 145033684) has the molecular formula C47H34F2N18 and a molecular weight of 888.91 g/mol. Its IUPAC name is 1-[6-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]-N-methylazetidin-3-amine;3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 1-[6-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]-N-methylazetidin-3-amine;3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 145033684
• Molecular Formula: C47H34F2N18
• Molecular Weight: 888.91 g/mol
• Exact Mass: 888.32
• IUPAC Name: 1-[6-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]-N-methylazetidin-3-amine;3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: CNC1CN(c2cncc(-c3cc4c(-c5nc6c(-c7ccc(F)cc7)nccc6[nH]5)n[nH]c4cn3)n2)C1.Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cn[nH]c6)cc45)nc23)cc1
• InChI: InChI=1S/C26H21FN10.C21H13FN8/c1-28-16-12-37(13-16)22-11-29-9-21(32-22)19-8-17-20(10-31-19)35-36-24(17)26-33-18-6-7-30-23(25(18)34-26)14-2-4-15(27)5-3-14;22-13-3-1-11(2-4-13)18-20-15(5-6-23-18)27-21(28-20)19-14-7-16(12-8-25-26-9-12)24-10-17(14)29-30-19/h2-11,16,28H,12-13H2,1H3,(H,33,34)(H,35,36);1-10H,(H,25,26)(H,27,28)(H,29,30)
• InChIKey: FULXPHFTMHSGEN-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 236.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	888.91
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]-N-methylazetidin-3-amine;3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 1-[6-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]-N-methylazetidin-3-amine;3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (CID 145033684) is 1-[6-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]-N-methylazetidin-3-amine;3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 1-[6-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]-N-methylazetidin-3-amine;3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 1-[6-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]-N-methylazetidin-3-amine;3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is CNC1CN(c2cncc(-c3cc4c(-c5nc6c(-c7ccc(F)cc7)nccc6[nH]5)n[nH]c4cn3)n2)C1.Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cn[nH]c6)cc45)nc23)cc1.

What is the InChIKey of 1-[6-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]-N-methylazetidin-3-amine;3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is FULXPHFTMHSGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN10.C21H13FN8/c1-28-16-12-37(13-16)22-11-29-9-21(32-22)19-8-17-20(10-31-19)35-36-24(17)26-33-18-6-7-30-23(25(18)34-26)14-2-4-15(27)5-3-14;22-13-3-1-11(2-4-13)18-20-15(5-6-23-18)27-21(28-20)19-14-7-16(12-8-25-26-9-12)24-10-17(14)29-30-19/h2-11,16,28H,12-13H2,1H3,(H,33,34)(H,35,36);1-10H,(H,25,26)(H,27,28)(H,29,30).

What are the key properties of 1-[6-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]-N-methylazetidin-3-amine;3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?

1-[6-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]-N-methylazetidin-3-amine;3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 888.91 g/mol, XLogP of 7.66, 8 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]-N-methylazetidin-3-amine;3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 145033684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).