3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide

C13H15FN4O2 — CID 178004506

IUPAC3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C=O)c1n[nH]c2cc(C)c(F)cc12
InChIInChI=1S/C13H15FN4O2/c1-8-5-11-9(6-10(8)14)13(17-16-11)18(7-19)4-3-12(20)15-2/h5-7H,3-4H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyISDCHLWPHLLWBA-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.11
Rot. Bonds5

About 3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide

3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide (PubChem CID 178004506) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide
PubChem CID178004506
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C=O)c1n[nH]c2cc(C)c(F)cc12
InChIInChI=1S/C13H15FN4O2/c1-8-5-11-9(6-10(8)14)13(17-16-11)18(7-19)4-3-12(20)15-2/h5-7H,3-4H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyISDCHLWPHLLWBA-UHFFFAOYSA-N
XLogP1.11
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1,3-dimethylindol-6-yl)-formylamino]-N-methylpropanamide
CID 176559593
2-[3,3-difluoro-4-[5-fluoro-3-[formyl-[3-(methylamino)-3-oxopropyl]amino]-1-methylindazol-6-yl]piperidin-1-yl]acetic acid
CID 166168025
3-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-N-formyl-2-methylanilino]-N-methylpropanamide;2,2,2-trifluoroacetic acid
CID 177197431
3-[[6-(2,6-diazaspiro[3.3]heptan-2-yl)-7-fluoro-1-methylindazol-3-yl]-formylamino]-N-methylpropanamide
CID 177160512
3-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 62325316
3-[(5-amino-4-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913988
N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 171550481
3-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913987
4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103820438
ethane;N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 171550672
3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene
CID 156707077
3-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]-N-methylpropanamide
CID 106914423

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide?
The IUPAC name of 3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide (CID 178004506) is 3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide is CNC(=O)CCN(C=O)c1n[nH]c2cc(C)c(F)cc12.
What is the InChIKey of 3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide?
The InChIKey is ISDCHLWPHLLWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-8-5-11-9(6-10(8)14)13(17-16-11)18(7-19)4-3-12(20)15-2/h5-7H,3-4H2,1-2H3,(H,15,20)(H,16,17).
What are the key properties of 3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide?
3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide has a molecular weight of 278.29 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-6-methyl-1H-indazol-3-yl)-formylamino]-N-methylpropanamide is sourced from PubChem (CID 178004506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).