1-[5-[2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone

C24H15FN6OS — CID 136935877

IUPAC1-[5-[2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cccnc6)cc45)nc23)s1
InChIInChI=1S/C24H15FN6OS/c1-12(32)18-4-5-19(33-18)23-22-17(6-8-27-23)28-24(29-22)21-15-9-14(13-3-2-7-26-11-13)10-16(25)20(15)30-31-21/h2-11H,1H3,(H,28,29)(H,30,31)
InChIKeyJCYFWXYHZSIGGQ-UHFFFAOYSA-N
MW454.49 g/mol
LogP5.63
Rot. Bonds4

About 1-[5-[2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone

1-[5-[2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone (PubChem CID 136935877) has the molecular formula C24H15FN6OS and a molecular weight of 454.49 g/mol. Its IUPAC name is 1-[5-[2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
PubChem CID136935877
Molecular FormulaC24H15FN6OS
Molecular Weight454.49 g/mol
Exact Mass454.10
IUPAC Name1-[5-[2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cccnc6)cc45)nc23)s1
InChIInChI=1S/C24H15FN6OS/c1-12(32)18-4-5-19(33-18)23-22-17(6-8-27-23)28-24(29-22)21-15-9-14(13-3-2-7-26-11-13)10-16(25)20(15)30-31-21/h2-11H,1H3,(H,28,29)(H,30,31)
InChIKeyJCYFWXYHZSIGGQ-UHFFFAOYSA-N
XLogP5.63
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.49
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone (CID 136935877) is 1-[5-[2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cccnc6)cc45)nc23)s1.
What is the InChIKey of 1-[5-[2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
The InChIKey is JCYFWXYHZSIGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN6OS/c1-12(32)18-4-5-19(33-18)23-22-17(6-8-27-23)28-24(29-22)21-15-9-14(13-3-2-7-26-11-13)10-16(25)20(15)30-31-21/h2-11H,1H3,(H,28,29)(H,30,31).
What are the key properties of 1-[5-[2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
1-[5-[2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone has a molecular weight of 454.49 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 136935877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).