4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

C25H17FN6O — CID 136936764

IUPAC4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C25H17FN6O/c1-33-18-10-16(12-27-13-18)15-4-7-20-19(11-15)23(32-31-20)25-29-21-8-9-28-22(24(21)30-25)14-2-5-17(26)6-3-14/h2-13H,1H3,(H,29,30)(H,31,32)
InChIKeyAIKQPDAGDVYFES-UHFFFAOYSA-N
MW436.45 g/mol
LogP5.38
Rot. Bonds4

About 4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136936764) has the molecular formula C25H17FN6O and a molecular weight of 436.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID136936764
Molecular FormulaC25H17FN6O
Molecular Weight436.45 g/mol
Exact Mass436.14
IUPAC Name4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C25H17FN6O/c1-33-18-10-16(12-27-13-18)15-4-7-20-19(11-15)23(32-31-20)25-29-21-8-9-28-22(24(21)30-25)14-2-5-17(26)6-3-14/h2-13H,1H3,(H,29,30)(H,31,32)
InChIKeyAIKQPDAGDVYFES-UHFFFAOYSA-N
XLogP5.38
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.45
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136936764) is 4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is COc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is AIKQPDAGDVYFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN6O/c1-33-18-10-16(12-27-13-18)15-4-7-20-19(11-15)23(32-31-20)25-29-21-8-9-28-22(24(21)30-25)14-2-5-17(26)6-3-14/h2-13H,1H3,(H,29,30)(H,31,32).
What are the key properties of 4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 436.45 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).