7-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine

C23H15FN6OS — CID 136937966

IUPAC7-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(F)s6)c5[nH]4)c3c2)c1
InChIInChI=1S/C23H15FN6OS/c1-31-14-8-13(10-25-11-14)12-2-3-17-16(9-12)21(30-29-17)23-27-20-15(6-7-26-22(20)28-23)18-4-5-19(24)32-18/h2-11H,1H3,(H,29,30)(H,26,27,28)
InChIKeyZHVCEDBTVBJCBJ-UHFFFAOYSA-N
MW442.48 g/mol
LogP5.44
Rot. Bonds4

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

7-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 136937966) has the molecular formula C23H15FN6OS and a molecular weight of 442.48 g/mol. Its IUPAC name is 7-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID136937966
Molecular FormulaC23H15FN6OS
Molecular Weight442.48 g/mol
Exact Mass442.10
IUPAC Name7-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(F)s6)c5[nH]4)c3c2)c1
InChIInChI=1S/C23H15FN6OS/c1-31-14-8-13(10-25-11-14)12-2-3-17-16(9-12)21(30-29-17)23-27-20-15(6-7-26-22(20)28-23)18-4-5-19(24)32-18/h2-11H,1H3,(H,29,30)(H,26,27,28)
InChIKeyZHVCEDBTVBJCBJ-UHFFFAOYSA-N
XLogP5.44
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (CID 136937966) is 7-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is COc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(F)s6)c5[nH]4)c3c2)c1.
What is the InChIKey of 7-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZHVCEDBTVBJCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN6OS/c1-31-14-8-13(10-25-11-14)12-2-3-17-16(9-12)21(30-29-17)23-27-20-15(6-7-26-22(20)28-23)18-4-5-19(24)32-18/h2-11H,1H3,(H,29,30)(H,26,27,28).
What are the key properties of 7-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
7-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 442.48 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 136937966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).