1-acetyl-N'-[3-fluoro-4-(2-methyl-3,4-dihydropyrazol-4-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide

C19H25FN6O — CID 139398426

About 1-acetyl-N'-[3-fluoro-4-(2-methyl-3,4-dihydropyrazol-4-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide

1-acetyl-N'-[3-fluoro-4-(2-methyl-3,4-dihydropyrazol-4-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide (PubChem CID 139398426) has the molecular formula C19H25FN6O and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-acetyl-N'-[3-fluoro-4-(2-methyl-3,4-dihydropyrazol-4-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide.

Molecular Properties

• Compound Name: 1-acetyl-N'-[3-fluoro-4-(2-methyl-3,4-dihydropyrazol-4-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
• PubChem CID: 139398426
• Molecular Formula: C19H25FN6O
• Molecular Weight: 372.45 g/mol
• Exact Mass: 372.21
• IUPAC Name: 1-acetyl-N'-[3-fluoro-4-(2-methyl-3,4-dihydropyrazol-4-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
• SMILES: CNC1=C(/C(N)=N/c2ccc(C3C=NN(C)C3)c(F)c2)CN(C(C)=O)CC1
• InChI: InChI=1S/C19H25FN6O/c1-12(27)26-7-6-18(22-2)16(11-26)19(21)24-14-4-5-15(17(20)8-14)13-9-23-25(3)10-13/h4-5,8-9,13,22H,6-7,10-11H2,1-3H3,(H2,21,24)
• InChIKey: GWJWPIWAFKZZHZ-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 86.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.45
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N'-[3-fluoro-4-(2-methyl-3,4-dihydropyrazol-4-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?

The IUPAC name of 1-acetyl-N'-[3-fluoro-4-(2-methyl-3,4-dihydropyrazol-4-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide (CID 139398426) is 1-acetyl-N'-[3-fluoro-4-(2-methyl-3,4-dihydropyrazol-4-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide.

What is the SMILES notation for 1-acetyl-N'-[3-fluoro-4-(2-methyl-3,4-dihydropyrazol-4-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?

The canonical SMILES for 1-acetyl-N'-[3-fluoro-4-(2-methyl-3,4-dihydropyrazol-4-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide is CNC1=C(/C(N)=N/c2ccc(C3C=NN(C)C3)c(F)c2)CN(C(C)=O)CC1.

What is the InChIKey of 1-acetyl-N'-[3-fluoro-4-(2-methyl-3,4-dihydropyrazol-4-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?

The InChIKey is GWJWPIWAFKZZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O/c1-12(27)26-7-6-18(22-2)16(11-26)19(21)24-14-4-5-15(17(20)8-14)13-9-23-25(3)10-13/h4-5,8-9,13,22H,6-7,10-11H2,1-3H3,(H2,21,24).

What are the key properties of 1-acetyl-N'-[3-fluoro-4-(2-methyl-3,4-dihydropyrazol-4-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?

1-acetyl-N'-[3-fluoro-4-(2-methyl-3,4-dihydropyrazol-4-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide has a molecular weight of 372.45 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N'-[3-fluoro-4-(2-methyl-3,4-dihydropyrazol-4-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide is sourced from PubChem (CID 139398426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).