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

C22H13FN8 — CID 137055478

IUPAC3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccccc1-c1ccnc2nc(-c3n[nH]c4cnc(-c5cncnc5)cc34)[nH]c12
InChIInChI=1S/C22H13FN8/c23-16-4-2-1-3-13(16)14-5-6-26-21-19(14)28-22(29-21)20-15-7-17(12-8-24-11-25-9-12)27-10-18(15)30-31-20/h1-11H,(H,30,31)(H,26,28,29)
InChIKeyRFDZJYDACNTRLE-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.16
Rot. Bonds3

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

3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137055478) has the molecular formula C22H13FN8 and a molecular weight of 408.40 g/mol. Its IUPAC name is 3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
PubChem CID137055478
Molecular FormulaC22H13FN8
Molecular Weight408.40 g/mol
Exact Mass408.12
IUPAC Name3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccccc1-c1ccnc2nc(-c3n[nH]c4cnc(-c5cncnc5)cc34)[nH]c12
InChIInChI=1S/C22H13FN8/c23-16-4-2-1-3-13(16)14-5-6-26-21-19(14)28-22(29-21)20-15-7-17(12-8-24-11-25-9-12)27-10-18(15)30-31-20/h1-11H,(H,30,31)(H,26,28,29)
InChIKeyRFDZJYDACNTRLE-UHFFFAOYSA-N
XLogP4.16
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 136937456
N-[5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137055469
N-[5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 137055467
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 137055628
5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137133903
3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CID 137055692
5-pyridin-2-yl-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136937369
N-[[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137134732
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
5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137042649
2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 136937438
N-[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137134733

Frequently Asked Questions

What is the IUPAC name of 3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine (CID 137055478) is 3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine is Fc1ccccc1-c1ccnc2nc(-c3n[nH]c4cnc(-c5cncnc5)cc34)[nH]c12.
What is the InChIKey of 3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is RFDZJYDACNTRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN8/c23-16-4-2-1-3-13(16)14-5-6-26-21-19(14)28-22(29-21)20-15-7-17(12-8-24-11-25-9-12)27-10-18(15)30-31-20/h1-11H,(H,30,31)(H,26,28,29).
What are the key properties of 3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 408.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137055478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).