3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2,6-difluorobenzamide

C19H10F4N6O — CID 155482156

IUPAC3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2,6-difluorobenzamide
SMILESN#Cc1ccc(F)c(C(=O)Nc2ccc3[nH]nc(-c4cnn(C(F)F)c4)c3c2)c1F
InChIInChI=1S/C19H10F4N6O/c20-13-3-1-9(6-24)16(21)15(13)18(30)26-11-2-4-14-12(5-11)17(28-27-14)10-7-25-29(8-10)19(22)23/h1-5,7-8,19H,(H,26,30)(H,27,28)
InChIKeyMCJDEBYQOGNMGK-UHFFFAOYSA-N
MW414.32 g/mol
LogP4.22
Rot. Bonds4

About 3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2,6-difluorobenzamide

3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2,6-difluorobenzamide (PubChem CID 155482156) has the molecular formula C19H10F4N6O and a molecular weight of 414.32 g/mol. Its IUPAC name is 3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2,6-difluorobenzamide
PubChem CID155482156
Molecular FormulaC19H10F4N6O
Molecular Weight414.32 g/mol
Exact Mass414.09
IUPAC Name3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2,6-difluorobenzamide
SMILESN#Cc1ccc(F)c(C(=O)Nc2ccc3[nH]nc(-c4cnn(C(F)F)c4)c3c2)c1F
InChIInChI=1S/C19H10F4N6O/c20-13-3-1-9(6-24)16(21)15(13)18(30)26-11-2-4-14-12(5-11)17(28-27-14)10-7-25-29(8-10)19(22)23/h1-5,7-8,19H,(H,26,30)(H,27,28)
InChIKeyMCJDEBYQOGNMGK-UHFFFAOYSA-N
XLogP4.22
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.32
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2,6-difluorobenzamide?
The IUPAC name of 3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2,6-difluorobenzamide (CID 155482156) is 3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2,6-difluorobenzamide.
What is the SMILES notation for 3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2,6-difluorobenzamide?
The canonical SMILES for 3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2,6-difluorobenzamide is N#Cc1ccc(F)c(C(=O)Nc2ccc3[nH]nc(-c4cnn(C(F)F)c4)c3c2)c1F.
What is the InChIKey of 3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2,6-difluorobenzamide?
The InChIKey is MCJDEBYQOGNMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N6O/c20-13-3-1-9(6-24)16(21)15(13)18(30)26-11-2-4-14-12(5-11)17(28-27-14)10-7-25-29(8-10)19(22)23/h1-5,7-8,19H,(H,26,30)(H,27,28).
What are the key properties of 3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2,6-difluorobenzamide?
3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2,6-difluorobenzamide has a molecular weight of 414.32 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 155482156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).