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

C19H11F3N6O — CID 155482170

IUPAC3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2-fluorobenzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc3[nH]nc(-c4cnn(C(F)F)c4)c3c2)c1F
InChIInChI=1S/C19H11F3N6O/c20-16-10(7-23)2-1-3-13(16)18(29)25-12-4-5-15-14(6-12)17(27-26-15)11-8-24-28(9-11)19(21)22/h1-6,8-9,19H,(H,25,29)(H,26,27)
InChIKeyBAIGOKJYHVRNPY-UHFFFAOYSA-N
MW396.33 g/mol
LogP4.08
Rot. Bonds4

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

3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2-fluorobenzamide (PubChem CID 155482170) has the molecular formula C19H11F3N6O and a molecular weight of 396.33 g/mol. Its IUPAC name is 3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2-fluorobenzamide
PubChem CID155482170
Molecular FormulaC19H11F3N6O
Molecular Weight396.33 g/mol
Exact Mass396.09
IUPAC Name3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2-fluorobenzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc3[nH]nc(-c4cnn(C(F)F)c4)c3c2)c1F
InChIInChI=1S/C19H11F3N6O/c20-16-10(7-23)2-1-3-13(16)18(29)25-12-4-5-15-14(6-12)17(27-26-15)11-8-24-28(9-11)19(21)22/h1-6,8-9,19H,(H,25,29)(H,26,27)
InChIKeyBAIGOKJYHVRNPY-UHFFFAOYSA-N
XLogP4.08
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 54.08
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-fluorobenzamide?
The IUPAC name of 3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2-fluorobenzamide (CID 155482170) is 3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2-fluorobenzamide.
What is the SMILES notation for 3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2-fluorobenzamide?
The canonical SMILES for 3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2-fluorobenzamide is N#Cc1cccc(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-fluorobenzamide?
The InChIKey is BAIGOKJYHVRNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N6O/c20-16-10(7-23)2-1-3-13(16)18(29)25-12-4-5-15-14(6-12)17(27-26-15)11-8-24-28(9-11)19(21)22/h1-6,8-9,19H,(H,25,29)(H,26,27).
What are the key properties of 3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2-fluorobenzamide?
3-cyano-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-2-fluorobenzamide has a molecular weight of 396.33 g/mol, XLogP of 4.08, 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-fluorobenzamide is sourced from PubChem (CID 155482170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).