1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone

C17H21F2N5O2 — CID 146186630

IUPAC1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc/c(=N\[C@@H](C)Cn2nc(C(N)(F)F)cc2C)n1C(C)=O
InChIInChI=1S/C17H21F2N5O2/c1-10(9-23-11(2)8-15(22-23)17(18,19)20)21-16-7-5-6-14(12(3)25)24(16)13(4)26/h5-8,10H,9,20H2,1-4H3/b21-16+/t10-/m0/s1
InChIKeyWCRLFOBSPJHYAZ-UPAYFPEMSA-N
MW365.38 g/mol
LogP1.85
Rot. Bonds5

About 1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone

1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone (PubChem CID 146186630) has the molecular formula C17H21F2N5O2 and a molecular weight of 365.38 g/mol. Its IUPAC name is 1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone
PubChem CID146186630
Molecular FormulaC17H21F2N5O2
Molecular Weight365.38 g/mol
Exact Mass365.17
IUPAC Name1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc/c(=N\[C@@H](C)Cn2nc(C(N)(F)F)cc2C)n1C(C)=O
InChIInChI=1S/C17H21F2N5O2/c1-10(9-23-11(2)8-15(22-23)17(18,19)20)21-16-7-5-6-14(12(3)25)24(16)13(4)26/h5-8,10H,9,20H2,1-4H3/b21-16+/t10-/m0/s1
InChIKeyWCRLFOBSPJHYAZ-UPAYFPEMSA-N
XLogP1.85
TPSA95.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone?
The IUPAC name of 1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone (CID 146186630) is 1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone?
The canonical SMILES for 1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone is CC(=O)c1ccc/c(=N\[C@@H](C)Cn2nc(C(N)(F)F)cc2C)n1C(C)=O.
What is the InChIKey of 1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone?
The InChIKey is WCRLFOBSPJHYAZ-UPAYFPEMSA-N. The full InChI is InChI=1S/C17H21F2N5O2/c1-10(9-23-11(2)8-15(22-23)17(18,19)20)21-16-7-5-6-14(12(3)25)24(16)13(4)26/h5-8,10H,9,20H2,1-4H3/b21-16+/t10-/m0/s1.
What are the key properties of 1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone?
1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone has a molecular weight of 365.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone is sourced from PubChem (CID 146186630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).