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

C22H12F2N8 — CID 137056380

IUPAC4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
SMILESFc1ccccc1-c1ccnc2nc(-c3[nH]nc4ncc(-c5cncnc5)c(F)c34)[nH]c12
InChIInChI=1S/C22H12F2N8/c23-15-4-2-1-3-12(15)13-5-6-27-21-18(13)29-22(30-21)19-16-17(24)14(9-28-20(16)32-31-19)11-7-25-10-26-8-11/h1-10H,(H,27,29,30)(H,28,31,32)
InChIKeyBIVNMFDAHGKNOR-UHFFFAOYSA-N
MW426.39 g/mol
LogP4.30
Rot. Bonds3

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

4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137056380) has the molecular formula C22H12F2N8 and a molecular weight of 426.39 g/mol. Its IUPAC name is 4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID137056380
Molecular FormulaC22H12F2N8
Molecular Weight426.39 g/mol
Exact Mass426.12
IUPAC Name4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
SMILESFc1ccccc1-c1ccnc2nc(-c3[nH]nc4ncc(-c5cncnc5)c(F)c34)[nH]c12
InChIInChI=1S/C22H12F2N8/c23-15-4-2-1-3-12(15)13-5-6-27-21-18(13)29-22(30-21)19-16-17(24)14(9-28-20(16)32-31-19)11-7-25-10-26-8-11/h1-10H,(H,27,29,30)(H,28,31,32)
InChIKeyBIVNMFDAHGKNOR-UHFFFAOYSA-N
XLogP4.30
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 137056357
5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 137055986
3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 137055478
N-[5-[4-fluoro-3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137056433
5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 137056601
N-[5-[4-fluoro-3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137056452
N-[5-[4-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137056306
N-[5-[4-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137056352
1-[5-[4-fluoro-3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137056680
N-[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 137056410
4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 136945456
N-[5-[4-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 137056397

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (CID 137056380) is 4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is Fc1ccccc1-c1ccnc2nc(-c3[nH]nc4ncc(-c5cncnc5)c(F)c34)[nH]c12.
What is the InChIKey of 4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is BIVNMFDAHGKNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F2N8/c23-15-4-2-1-3-12(15)13-5-6-27-21-18(13)29-22(30-21)19-16-17(24)14(9-28-20(16)32-31-19)11-7-25-10-26-8-11/h1-10H,(H,27,29,30)(H,28,31,32).
What are the key properties of 4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 426.39 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137056380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).