2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethane;7-(4-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine

C56H49F2N13 — CID 145036340

About 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethane;7-(4-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine

2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethane;7-(4-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 145036340) has the molecular formula C56H49F2N13 and a molecular weight of 942.10 g/mol. Its IUPAC name is 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethane;7-(4-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethane;7-(4-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
• PubChem CID: 145036340
• Molecular Formula: C56H49F2N13
• Molecular Weight: 942.10 g/mol
• Exact Mass: 941.42
• IUPAC Name: 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethane;7-(4-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
• SMILES: CC.Cn1cc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(F)cc6)c5[nH]4)c3c2)cn1.Fc1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CC7CCCCC7)c6)cc45)[nH]c23)cc1
• InChI: InChI=1S/C31H27FN6.C23H16FN7.C2H6/c32-24-9-6-21(7-10-24)25-12-13-34-30-28(25)35-31(36-30)29-26-16-22(8-11-27(26)37-38-29)23-15-20(17-33-18-23)14-19-4-2-1-3-5-19;1-31-12-15(11-26-31)14-4-7-19-18(10-14)21(30-29-19)23-27-20-17(8-9-25-22(20)28-23)13-2-5-16(24)6-3-13;1-2/h6-13,15-19H,1-5,14H2,(H,37,38)(H,34,35,36);2-12H,1H3,(H,29,30)(H,25,27,28);1-2H3
• InChIKey: HFHIKIWZOFGNGF-UHFFFAOYSA-N
• XLogP: 13.23
• TPSA: 171.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	942.10
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethane;7-(4-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethane;7-(4-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (CID 145036340) is 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethane;7-(4-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethane;7-(4-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethane;7-(4-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is CC.Cn1cc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(F)cc6)c5[nH]4)c3c2)cn1.Fc1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CC7CCCCC7)c6)cc45)[nH]c23)cc1.

What is the InChIKey of 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethane;7-(4-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?

The InChIKey is HFHIKIWZOFGNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN6.C23H16FN7.C2H6/c32-24-9-6-21(7-10-24)25-12-13-34-30-28(25)35-31(36-30)29-26-16-22(8-11-27(26)37-38-29)23-15-20(17-33-18-23)14-19-4-2-1-3-5-19;1-31-12-15(11-26-31)14-4-7-19-18(10-14)21(30-29-19)23-27-20-17(8-9-25-22(20)28-23)13-2-5-16(24)6-3-13;1-2/h6-13,15-19H,1-5,14H2,(H,37,38)(H,34,35,36);2-12H,1H3,(H,29,30)(H,25,27,28);1-2H3.

What are the key properties of 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethane;7-(4-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?

2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethane;7-(4-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 942.10 g/mol, XLogP of 13.23, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethane;7-(4-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 145036340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).