3-cyano-5-fluoro-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)benzamide

C19H17FN4O2 — CID 70725801

IUPAC3-cyano-5-fluoro-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)benzamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)c1cc(F)cc(C#N)c1)nn2C
InChIInChI=1S/C19H17FN4O2/c1-11(2)26-16-6-4-5-15-17(16)18(23-24(15)3)22-19(25)13-7-12(10-21)8-14(20)9-13/h4-9,11H,1-3H3,(H,22,23,25)
InChIKeyWEPVMNTUDZMKSJ-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.62
Rot. Bonds4

About 3-cyano-5-fluoro-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)benzamide

3-cyano-5-fluoro-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)benzamide (PubChem CID 70725801) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 3-cyano-5-fluoro-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)benzamide.

Molecular Properties

Compound Name3-cyano-5-fluoro-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)benzamide
PubChem CID70725801
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name3-cyano-5-fluoro-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)benzamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)c1cc(F)cc(C#N)c1)nn2C
InChIInChI=1S/C19H17FN4O2/c1-11(2)26-16-6-4-5-15-17(16)18(23-24(15)3)22-19(25)13-7-12(10-21)8-14(20)9-13/h4-9,11H,1-3H3,(H,22,23,25)
InChIKeyWEPVMNTUDZMKSJ-UHFFFAOYSA-N
XLogP3.62
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-fluoro-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)benzamide?
The IUPAC name of 3-cyano-5-fluoro-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)benzamide (CID 70725801) is 3-cyano-5-fluoro-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)benzamide.
What is the SMILES notation for 3-cyano-5-fluoro-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)benzamide?
The canonical SMILES for 3-cyano-5-fluoro-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)benzamide is CC(C)Oc1cccc2c1c(NC(=O)c1cc(F)cc(C#N)c1)nn2C.
What is the InChIKey of 3-cyano-5-fluoro-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)benzamide?
The InChIKey is WEPVMNTUDZMKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-11(2)26-16-6-4-5-15-17(16)18(23-24(15)3)22-19(25)13-7-12(10-21)8-14(20)9-13/h4-9,11H,1-3H3,(H,22,23,25).
What are the key properties of 3-cyano-5-fluoro-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)benzamide?
3-cyano-5-fluoro-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)benzamide has a molecular weight of 352.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-fluoro-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)benzamide is sourced from PubChem (CID 70725801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).