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

C23H15FN8 — CID 137042306

IUPAC5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
SMILESNc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccc6F)c5[nH]4)c3n2)c1
InChIInChI=1S/C23H15FN8/c24-16-4-2-1-3-14(16)15-7-8-27-22-19(15)29-23(30-22)21-20-18(31-32-21)6-5-17(28-20)12-9-13(25)11-26-10-12/h1-11H,25H2,(H,31,32)(H,27,29,30)
InChIKeyJJCXDKBKWZRDPO-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.35
Rot. Bonds3

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

5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 137042306) has the molecular formula C23H15FN8 and a molecular weight of 422.43 g/mol. Its IUPAC name is 5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
PubChem CID137042306
Molecular FormulaC23H15FN8
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC Name5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
SMILESNc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccc6F)c5[nH]4)c3n2)c1
InChIInChI=1S/C23H15FN8/c24-16-4-2-1-3-14(16)15-7-8-27-22-19(15)29-23(30-22)21-20-18(31-32-21)6-5-17(28-20)12-9-13(25)11-26-10-12/h1-11H,25H2,(H,31,32)(H,27,29,30)
InChIKeyJJCXDKBKWZRDPO-UHFFFAOYSA-N
XLogP4.35
TPSA122.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The IUPAC name of 5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 137042306) is 5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccc6F)c5[nH]4)c3n2)c1.
What is the InChIKey of 5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The InChIKey is JJCXDKBKWZRDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN8/c24-16-4-2-1-3-14(16)15-7-8-27-22-19(15)29-23(30-22)21-20-18(31-32-21)6-5-17(28-20)12-9-13(25)11-26-10-12/h1-11H,25H2,(H,31,32)(H,27,29,30).
What are the key properties of 5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 422.43 g/mol, XLogP of 4.35, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 137042306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).