3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide

C12H15FN4O — CID 177012069

IUPAC3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide
SMILESCc1cc2c(cc1F)c(NCCC(N)=O)nn2C
InChIInChI=1S/C12H15FN4O/c1-7-5-10-8(6-9(7)13)12(16-17(10)2)15-4-3-11(14)18/h5-6H,3-4H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyVHRWBQVHSKCNFA-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.31
Rot. Bonds4

About 3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide

3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide (PubChem CID 177012069) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide
PubChem CID177012069
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide
SMILESCc1cc2c(cc1F)c(NCCC(N)=O)nn2C
InChIInChI=1S/C12H15FN4O/c1-7-5-10-8(6-9(7)13)12(16-17(10)2)15-4-3-11(14)18/h5-6H,3-4H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyVHRWBQVHSKCNFA-UHFFFAOYSA-N
XLogP1.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide?
The IUPAC name of 3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide (CID 177012069) is 3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide.
What is the SMILES notation for 3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide?
The canonical SMILES for 3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide is Cc1cc2c(cc1F)c(NCCC(N)=O)nn2C.
What is the InChIKey of 3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide?
The InChIKey is VHRWBQVHSKCNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-7-5-10-8(6-9(7)13)12(16-17(10)2)15-4-3-11(14)18/h5-6H,3-4H2,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of 3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide?
3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide has a molecular weight of 250.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide is sourced from PubChem (CID 177012069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).