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

C23H15FN6OS — CID 136936956

IUPAC4-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C23H15FN6OS/c1-31-14-8-13(10-25-11-14)12-2-3-16-15(9-12)20(30-29-16)23-27-17-6-7-26-22(21(17)28-23)18-4-5-19(24)32-18/h2-11H,1H3,(H,27,28)(H,29,30)
InChIKeyURFLYYHLLNJROY-UHFFFAOYSA-N
MW442.48 g/mol
LogP5.44
Rot. Bonds4

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

4-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136936956) has the molecular formula C23H15FN6OS and a molecular weight of 442.48 g/mol. Its IUPAC name is 4-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID136936956
Molecular FormulaC23H15FN6OS
Molecular Weight442.48 g/mol
Exact Mass442.10
IUPAC Name4-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C23H15FN6OS/c1-31-14-8-13(10-25-11-14)12-2-3-16-15(9-12)20(30-29-16)23-27-17-6-7-26-22(21(17)28-23)18-4-5-19(24)32-18/h2-11H,1H3,(H,27,28)(H,29,30)
InChIKeyURFLYYHLLNJROY-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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Related Compounds

US10544143, Example 1067
CID 138687106
US11014929, Example 21
CID 134326340
5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137038094
3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137038935
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
N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137087491
3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137109858
5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole
CID 137111356
3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137142989
7-(4-Fluoro-2-methoxyphenyl)-6-methyl-N-(1-(piperidin-4-yl)-1H-pyrazol-4-yl) thieno (3,2-d)pyrimidin-2-amine
CID 126495573
5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 134809763
7-(3-fluorophenyl)-2-[5-(5-methoxy-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
CID 145995999

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136936956) is 4-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is COc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 4-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is URFLYYHLLNJROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN6OS/c1-31-14-8-13(10-25-11-14)12-2-3-16-15(9-12)20(30-29-16)23-27-17-6-7-26-22(21(17)28-23)18-4-5-19(24)32-18/h2-11H,1H3,(H,27,28)(H,29,30).
What are the key properties of 4-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]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 4-(5-fluorothiophen-2-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).