2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine

C28H26FN9 — CID 137134419

About 2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine

2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 137134419) has the molecular formula C28H26FN9 and a molecular weight of 507.58 g/mol. Its IUPAC name is 2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137134419
• Molecular Formula: C28H26FN9
• Molecular Weight: 507.58 g/mol
• Exact Mass: 507.23
• IUPAC Name: 2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine
• SMILES: Cc1cn(-c2ccnc3nc(-c4[nH]nc5c(F)cc(-c6cncc(CN7CCCCC7)c6)cc45)[nH]c23)cn1
• InChI: InChI=1S/C28H26FN9/c1-17-14-38(16-32-17)23-5-6-31-27-26(23)33-28(34-27)25-21-10-19(11-22(29)24(21)35-36-25)20-9-18(12-30-13-20)15-37-7-3-2-4-8-37/h5-6,9-14,16H,2-4,7-8,15H2,1H3,(H,35,36)(H,31,33,34)
• InChIKey: ZSOPRNQCFLURGA-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 104.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.58
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine (CID 137134419) is 2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine is Cc1cn(-c2ccnc3nc(-c4[nH]nc5c(F)cc(-c6cncc(CN7CCCCC7)c6)cc45)[nH]c23)cn1.

What is the InChIKey of 2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine?

The InChIKey is ZSOPRNQCFLURGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN9/c1-17-14-38(16-32-17)23-5-6-31-27-26(23)33-28(34-27)25-21-10-19(11-22(29)24(21)35-36-25)20-9-18(12-30-13-20)15-37-7-3-2-4-8-37/h5-6,9-14,16H,2-4,7-8,15H2,1H3,(H,35,36)(H,31,33,34).

What are the key properties of 2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine?

2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 507.58 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137134419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).