3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

C30H27FN8O — CID 136945956

About 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 136945956) has the molecular formula C30H27FN8O and a molecular weight of 534.60 g/mol. Its IUPAC name is 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 136945956
• Molecular Formula: C30H27FN8O
• Molecular Weight: 534.60 g/mol
• Exact Mass: 534.23
• IUPAC Name: 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
• SMILES: Cc1cc(F)cc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OCCN7CCCC7)c6)cc45)nc23)c1
• InChI: InChI=1S/C30H27FN8O/c1-18-10-19(12-22(31)11-18)26-28-25(4-5-33-26)35-30(36-28)27-24-14-21(16-34-29(24)38-37-27)20-13-23(17-32-15-20)40-9-8-39-6-2-3-7-39/h4-5,10-17H,2-3,6-9H2,1H3,(H,35,36)(H,34,37,38)
• InChIKey: LMMIPUBPTVBEJX-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 108.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.60
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?

The IUPAC name of 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 136945956) is 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is Cc1cc(F)cc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OCCN7CCCC7)c6)cc45)nc23)c1.

What is the InChIKey of 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is LMMIPUBPTVBEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN8O/c1-18-10-19(12-22(31)11-18)26-28-25(4-5-33-26)35-30(36-28)27-24-14-21(16-34-29(24)38-37-27)20-13-23(17-32-15-20)40-9-8-39-6-2-3-7-39/h4-5,10-17H,2-3,6-9H2,1H3,(H,35,36)(H,34,37,38).

What are the key properties of 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?

3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 534.60 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 136945956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).