3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine

C28H24FN9O — CID 137312072

About 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine

3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137312072) has the molecular formula C28H24FN9O and a molecular weight of 521.56 g/mol. Its IUPAC name is 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137312072
• Molecular Formula: C28H24FN9O
• Molecular Weight: 521.56 g/mol
• Exact Mass: 521.21
• IUPAC Name: 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
• SMILES: Fc1cc(OCCN2CCCC2)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)nc45)nc23)c1
• InChI: InChI=1S/C28H24FN9O/c29-19-9-17(10-20(11-19)39-8-7-38-5-1-2-6-38)21-14-30-15-24-25(21)35-28(34-24)27-26-23(36-37-27)4-3-22(33-26)18-12-31-16-32-13-18/h3-4,9-16H,1-2,5-8H2,(H,34,35)(H,36,37)
• InChIKey: RYGUGGKOGCFLGZ-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 121.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.56
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine (CID 137312072) is 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine is Fc1cc(OCCN2CCCC2)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)nc45)nc23)c1.

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

The InChIKey is RYGUGGKOGCFLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN9O/c29-19-9-17(10-20(11-19)39-8-7-38-5-1-2-6-38)21-14-30-15-24-25(21)35-28(34-24)27-26-23(36-37-27)4-3-22(33-26)18-12-31-16-32-13-18/h3-4,9-16H,1-2,5-8H2,(H,34,35)(H,36,37).

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

3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 521.56 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137312072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).