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

C24H16FN7O — CID 137042093

IUPAC3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
SMILESCOc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccc(F)c6)c5[nH]4)c3n2)c1
InChIInChI=1S/C24H16FN7O/c1-33-16-10-14(11-26-12-16)18-5-6-19-21(28-18)22(32-31-19)24-29-20-17(7-8-27-23(20)30-24)13-3-2-4-15(25)9-13/h2-12H,1H3,(H,31,32)(H,27,29,30)
InChIKeyKWCLSDJAFIFUBG-UHFFFAOYSA-N
MW437.44 g/mol
LogP4.77
Rot. Bonds4

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

3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137042093) has the molecular formula C24H16FN7O and a molecular weight of 437.44 g/mol. Its IUPAC name is 3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
PubChem CID137042093
Molecular FormulaC24H16FN7O
Molecular Weight437.44 g/mol
Exact Mass437.14
IUPAC Name3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
SMILESCOc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccc(F)c6)c5[nH]4)c3n2)c1
InChIInChI=1S/C24H16FN7O/c1-33-16-10-14(11-26-12-16)18-5-6-19-21(28-18)22(32-31-19)24-29-20-17(7-8-27-23(20)30-24)13-3-2-4-15(25)9-13/h2-12H,1H3,(H,31,32)(H,27,29,30)
InChIKeyKWCLSDJAFIFUBG-UHFFFAOYSA-N
XLogP4.77
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (CID 137042093) is 3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is COc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccc(F)c6)c5[nH]4)c3n2)c1.
What is the InChIKey of 3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is KWCLSDJAFIFUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN7O/c1-33-16-10-14(11-26-12-16)18-5-6-19-21(28-18)22(32-31-19)24-29-20-17(7-8-27-23(20)30-24)13-3-2-4-15(25)9-13/h2-12H,1H3,(H,31,32)(H,27,29,30).
What are the key properties of 3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?
3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 437.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137042093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).