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

C25H17FN6OS — CID 136935879

IUPAC1-[5-[2-[7-fluoro-5-(4-methyl-3-pyridinyl)-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(-c6cnccc6C)cc45)nc23)s1
InChIInChI=1S/C25H17FN6OS/c1-12-5-7-27-11-16(12)14-9-15-21(17(26)10-14)31-32-22(15)25-29-18-6-8-28-24(23(18)30-25)20-4-3-19(34-20)13(2)33/h3-11H,1-2H3,(H,29,30)(H,31,32)
InChIKeyDWAFELFMWYERGR-UHFFFAOYSA-N
MW468.52 g/mol
LogP5.94
Rot. Bonds4

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

1-[5-[2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone (PubChem CID 136935879) has the molecular formula C25H17FN6OS and a molecular weight of 468.52 g/mol. Its IUPAC name is 1-[5-[2-[7-fluoro-5-(4-methyl-3-pyridinyl)-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-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
PubChem CID136935879
Molecular FormulaC25H17FN6OS
Molecular Weight468.52 g/mol
Exact Mass468.12
IUPAC Name1-[5-[2-[7-fluoro-5-(4-methyl-3-pyridinyl)-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(-c6cnccc6C)cc45)nc23)s1
InChIInChI=1S/C25H17FN6OS/c1-12-5-7-27-11-16(12)14-9-15-21(17(26)10-14)31-32-22(15)25-29-18-6-8-28-24(23(18)30-25)20-4-3-19(34-20)13(2)33/h3-11H,1-2H3,(H,29,30)(H,31,32)
InChIKeyDWAFELFMWYERGR-UHFFFAOYSA-N
XLogP5.94
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[7-fluoro-5-(4-methyl-3-pyridinyl)-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-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone (CID 136935879) is 1-[5-[2-[7-fluoro-5-(4-methyl-3-pyridinyl)-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-(4-methyl-3-pyridinyl)-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-(4-methyl-3-pyridinyl)-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(-c6cnccc6C)cc45)nc23)s1.
What is the InChIKey of 1-[5-[2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
The InChIKey is DWAFELFMWYERGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN6OS/c1-12-5-7-27-11-16(12)14-9-15-21(17(26)10-14)31-32-22(15)25-29-18-6-8-28-24(23(18)30-25)20-4-3-19(34-20)13(2)33/h3-11H,1-2H3,(H,29,30)(H,31,32).
What are the key properties of 1-[5-[2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
1-[5-[2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone has a molecular weight of 468.52 g/mol, XLogP of 5.94, 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-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 136935879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).