1-[2-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol

C24H27FN6O — CID 155717522

About 1-[2-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol

1-[2-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol (PubChem CID 155717522) has the molecular formula C24H27FN6O and a molecular weight of 434.52 g/mol. Its IUPAC name is 1-[2-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[2-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol
• PubChem CID: 155717522
• Molecular Formula: C24H27FN6O
• Molecular Weight: 434.52 g/mol
• Exact Mass: 434.22
• IUPAC Name: 1-[2-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol
• SMILES: C/N=C/C(=C\N)c1cc(N2CCC(O)(c3cccc(F)c3)CC2)cc(-c2cnn(C)c2)n1
• InChI: InChI=1S/C24H27FN6O/c1-27-14-17(13-26)22-11-21(12-23(29-22)18-15-28-30(2)16-18)31-8-6-24(32,7-9-31)19-4-3-5-20(25)10-19/h3-5,10-16,32H,6-9,26H2,1-2H3/b17-13+,27-14+
• InChIKey: HLCVRNLDUARQBB-OVOMSDCHSA-N
• XLogP: 3.11
• TPSA: 92.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol?

The IUPAC name of 1-[2-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol (CID 155717522) is 1-[2-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol.

What is the SMILES notation for 1-[2-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol?

The canonical SMILES for 1-[2-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol is C/N=C/C(=C\N)c1cc(N2CCC(O)(c3cccc(F)c3)CC2)cc(-c2cnn(C)c2)n1.

What is the InChIKey of 1-[2-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol?

The InChIKey is HLCVRNLDUARQBB-OVOMSDCHSA-N. The full InChI is InChI=1S/C24H27FN6O/c1-27-14-17(13-26)22-11-21(12-23(29-22)18-15-28-30(2)16-18)31-8-6-24(32,7-9-31)19-4-3-5-20(25)10-19/h3-5,10-16,32H,6-9,26H2,1-2H3/b17-13+,27-14+.

What are the key properties of 1-[2-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol?

1-[2-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol has a molecular weight of 434.52 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 155717522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).