2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide

C22H14F2N4O — CID 44540134

IUPAC2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide
SMILESO=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1c(F)cccc1F
InChIInChI=1S/C22H14F2N4O/c23-16-4-2-5-17(24)21(16)22(29)27-19-9-12(10-20-15(19)11-26-28-20)13-3-1-6-18-14(13)7-8-25-18/h1-11,25H,(H,26,28)(H,27,29)
InChIKeyKKBVLYSXNNWUOA-UHFFFAOYSA-N
MW388.38 g/mol
LogP5.24
Rot. Bonds3

About 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide

2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide (PubChem CID 44540134) has the molecular formula C22H14F2N4O and a molecular weight of 388.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide
PubChem CID44540134
Molecular FormulaC22H14F2N4O
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Name2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide
SMILESO=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1c(F)cccc1F
InChIInChI=1S/C22H14F2N4O/c23-16-4-2-5-17(24)21(16)22(29)27-19-9-12(10-20-15(19)11-26-28-20)13-3-1-6-18-14(13)7-8-25-18/h1-11,25H,(H,26,28)(H,27,29)
InChIKeyKKBVLYSXNNWUOA-UHFFFAOYSA-N
XLogP5.24
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.38
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide (CID 44540134) is 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide is O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide?
The InChIKey is KKBVLYSXNNWUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4O/c23-16-4-2-5-17(24)21(16)22(29)27-19-9-12(10-20-15(19)11-26-28-20)13-3-1-6-18-14(13)7-8-25-18/h1-11,25H,(H,26,28)(H,27,29).
What are the key properties of 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide?
2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide has a molecular weight of 388.38 g/mol, XLogP of 5.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide is sourced from PubChem (CID 44540134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).