7-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine

C29H27FN8O — CID 145248796

About 7-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine

7-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine (PubChem CID 145248796) has the molecular formula C29H27FN8O and a molecular weight of 522.59 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 7-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine
• PubChem CID: 145248796
• Molecular Formula: C29H27FN8O
• Molecular Weight: 522.59 g/mol
• Exact Mass: 522.23
• IUPAC Name: 7-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine
• SMILES: Fc1cccc(-c2cncc3[nH]c(C4NNc5ccc(-c6cncc(OCCN7CCCC7)c6)nc54)nc23)c1
• InChI: InChI=1S/C29H27FN8O/c30-20-5-3-4-18(12-20)22-16-32-17-25-26(22)35-29(34-25)28-27-24(36-37-28)7-6-23(33-27)19-13-21(15-31-14-19)39-11-10-38-8-1-2-9-38/h3-7,12-17,28,36-37H,1-2,8-11H2,(H,34,35)
• InChIKey: YMGHAITZJZZMNG-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 103.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.59
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine?

The IUPAC name of 7-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine (CID 145248796) is 7-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 7-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine?

The canonical SMILES for 7-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine is Fc1cccc(-c2cncc3[nH]c(C4NNc5ccc(-c6cncc(OCCN7CCCC7)c6)nc54)nc23)c1.

What is the InChIKey of 7-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine?

The InChIKey is YMGHAITZJZZMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN8O/c30-20-5-3-4-18(12-20)22-16-32-17-25-26(22)35-29(34-25)28-27-24(36-37-28)7-6-23(33-27)19-13-21(15-31-14-19)39-11-10-38-8-1-2-9-38/h3-7,12-17,28,36-37H,1-2,8-11H2,(H,34,35).

What are the key properties of 7-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine?

7-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 522.59 g/mol, XLogP of 4.72, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2,3-dihydro-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145248796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).