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

C35H36FN9O2 — CID 137057132

IUPAC3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(OCCN7CCCC7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C35H36FN9O2/c36-26-15-23(16-27(19-26)46-13-11-44-7-1-2-8-44)29-5-6-38-34-31(29)40-35(41-34)32-30-18-25(21-39-33(30)43-42-32)24-17-28(22-37-20-24)47-14-12-45-9-3-4-10-45/h5-6,15-22H,1-4,7-14H2,(H,38,40,41)(H,39,42,43)
InChIKeyAKZKOHGGZIXSEY-UHFFFAOYSA-N
MW633.73 g/mol
LogP5.71
Rot. Bonds11

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

3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137057132) has the molecular formula C35H36FN9O2 and a molecular weight of 633.73 g/mol. Its IUPAC name is 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID137057132
Molecular FormulaC35H36FN9O2
Molecular Weight633.73 g/mol
Exact Mass633.30
IUPAC Name3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(OCCN7CCCC7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C35H36FN9O2/c36-26-15-23(16-27(19-26)46-13-11-44-7-1-2-8-44)29-5-6-38-34-31(29)40-35(41-34)32-30-18-25(21-39-33(30)43-42-32)24-17-28(22-37-20-24)47-14-12-45-9-3-4-10-45/h5-6,15-22H,1-4,7-14H2,(H,38,40,41)(H,39,42,43)
InChIKeyAKZKOHGGZIXSEY-UHFFFAOYSA-N
XLogP5.71
TPSA120.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.73
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 137057132) is 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is Fc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(OCCN7CCCC7)c6)cc45)[nH]c23)c1.
What is the InChIKey of 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is AKZKOHGGZIXSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36FN9O2/c36-26-15-23(16-27(19-26)46-13-11-44-7-1-2-8-44)29-5-6-38-34-31(29)40-35(41-34)32-30-18-25(21-39-33(30)43-42-32)24-17-28(22-37-20-24)47-14-12-45-9-3-4-10-45/h5-6,15-22H,1-4,7-14H2,(H,38,40,41)(H,39,42,43).
What are the key properties of 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 633.73 g/mol, XLogP of 5.71, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137057132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).