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

C29H25FN8O — CID 137057086

IUPAC3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cccnc6)cc45)[nH]c23)c1
InChIInChI=1S/C29H25FN8O/c30-21-12-19(13-22(15-21)39-11-10-38-8-1-2-9-38)23-5-7-32-28-25(23)34-29(35-28)26-24-14-20(17-33-27(24)37-36-26)18-4-3-6-31-16-18/h3-7,12-17H,1-2,8-11H2,(H,32,34,35)(H,33,36,37)
InChIKeyOTBSNAPCJLVFDU-UHFFFAOYSA-N
MW520.57 g/mol
LogP5.24
Rot. Bonds7

About 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-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-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137057086) has the molecular formula C29H25FN8O and a molecular weight of 520.57 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-pyridin-3-yl-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-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID137057086
Molecular FormulaC29H25FN8O
Molecular Weight520.57 g/mol
Exact Mass520.21
IUPAC Name3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cccnc6)cc45)[nH]c23)c1
InChIInChI=1S/C29H25FN8O/c30-21-12-19(13-22(15-21)39-11-10-38-8-1-2-9-38)23-5-7-32-28-25(23)34-29(35-28)26-24-14-20(17-33-27(24)37-36-26)18-4-3-6-31-16-18/h3-7,12-17H,1-2,8-11H2,(H,32,34,35)(H,33,36,37)
InChIKeyOTBSNAPCJLVFDU-UHFFFAOYSA-N
XLogP5.24
TPSA108.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.57
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
CID 137057138
3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137056987
2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 137056958
7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
CID 136938098
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 136945840
5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
CID 136946057
2-[[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 136946084
2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine
CID 137057058
5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 136937979
2-[[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 136945860
2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine
CID 137055297
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

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-pyridin-3-yl-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-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine (CID 137057086) is 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-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-pyridin-3-yl-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-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine is Fc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cccnc6)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-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is OTBSNAPCJLVFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN8O/c30-21-12-19(13-22(15-21)39-11-10-38-8-1-2-9-38)23-5-7-32-28-25(23)34-29(35-28)26-24-14-20(17-33-27(24)37-36-26)18-4-3-6-31-16-18/h3-7,12-17H,1-2,8-11H2,(H,32,34,35)(H,33,36,37).
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-pyridin-3-yl-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-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 520.57 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137057086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).