N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine

C23H26FN7O — CID 144711191

About N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine

N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine (PubChem CID 144711191) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine.

Molecular Properties

• Compound Name: N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine
• PubChem CID: 144711191
• Molecular Formula: C23H26FN7O
• Molecular Weight: 435.51 g/mol
• Exact Mass: 435.22
• IUPAC Name: N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine
• SMILES: C=N/C(=C\C(=N/COc1ccc2[nH]c(C)cc2c1F)N1CCC1)Nc1cc(/C=C/C)[nH]n1
• InChI: InChI=1S/C23H26FN7O/c1-4-6-16-12-21(30-29-16)28-20(25-3)13-22(31-9-5-10-31)26-14-32-19-8-7-18-17(23(19)24)11-15(2)27-18/h4,6-8,11-13,27H,3,5,9-10,14H2,1-2H3,(H2,28,29,30)/b6-4+,20-13+,26-22+
• InChIKey: RTEURTVEDVMHHN-NQNRIOGASA-N
• XLogP: 4.47
• TPSA: 93.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.51
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	3
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 N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine?

The IUPAC name of N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine (CID 144711191) is N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine.

What is the SMILES notation for N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine?

The canonical SMILES for N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine is C=N/C(=C\C(=N/COc1ccc2[nH]c(C)cc2c1F)N1CCC1)Nc1cc(/C=C/C)[nH]n1.

What is the InChIKey of N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine?

The InChIKey is RTEURTVEDVMHHN-NQNRIOGASA-N. The full InChI is InChI=1S/C23H26FN7O/c1-4-6-16-12-21(30-29-16)28-20(25-3)13-22(31-9-5-10-31)26-14-32-19-8-7-18-17(23(19)24)11-15(2)27-18/h4,6-8,11-13,27H,3,5,9-10,14H2,1-2H3,(H2,28,29,30)/b6-4+,20-13+,26-22+.

What are the key properties of N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine?

N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine has a molecular weight of 435.51 g/mol, XLogP of 4.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 144711191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).