3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol

C24H15FN6O — CID 136937123

IUPAC3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol
SMILESOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)nc23)c1
InChIInChI=1S/C24H15FN6O/c25-16-8-15(9-17(32)11-16)21-23-20(5-7-27-21)28-24(29-23)22-18-10-13(3-4-19(18)30-31-22)14-2-1-6-26-12-14/h1-12,32H,(H,28,29)(H,30,31)
InChIKeyKQOTUYSXAPOJKL-UHFFFAOYSA-N
MW422.42 g/mol
LogP5.07
Rot. Bonds3

About 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol

3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol (PubChem CID 136937123) has the molecular formula C24H15FN6O and a molecular weight of 422.42 g/mol. Its IUPAC name is 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol
PubChem CID136937123
Molecular FormulaC24H15FN6O
Molecular Weight422.42 g/mol
Exact Mass422.13
IUPAC Name3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol
SMILESOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)nc23)c1
InChIInChI=1S/C24H15FN6O/c25-16-8-15(9-17(32)11-16)21-23-20(5-7-27-21)28-24(29-23)22-18-10-13(3-4-19(18)30-31-22)14-2-1-6-26-12-14/h1-12,32H,(H,28,29)(H,30,31)
InChIKeyKQOTUYSXAPOJKL-UHFFFAOYSA-N
XLogP5.07
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.42
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol (CID 136937123) is 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol is Oc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)nc23)c1.
What is the InChIKey of 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
The InChIKey is KQOTUYSXAPOJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN6O/c25-16-8-15(9-17(32)11-16)21-23-20(5-7-27-21)28-24(29-23)22-18-10-13(3-4-19(18)30-31-22)14-2-1-6-26-12-14/h1-12,32H,(H,28,29)(H,30,31).
What are the key properties of 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol has a molecular weight of 422.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol is sourced from PubChem (CID 136937123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).