(Z)-N-[(1Z)-1-[5-[[2-(difluoromethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]-2-fluorobuta-1,3-dienyl]ethanimine

C19H20F3N7 — CID 143228642

About (Z)-N-[(1Z)-1-[5-[[2-(difluoromethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]-2-fluorobuta-1,3-dienyl]ethanimine

(Z)-N-[(1Z)-1-[5-[[2-(difluoromethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]-2-fluorobuta-1,3-dienyl]ethanimine (PubChem CID 143228642) has the molecular formula C19H20F3N7 and a molecular weight of 403.41 g/mol. Its IUPAC name is (Z)-N-[(1Z)-1-[5-[[2-(difluoromethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]-2-fluorobuta-1,3-dienyl]ethanimine.

Molecular Properties

• Compound Name: (Z)-N-[(1Z)-1-[5-[[2-(difluoromethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]-2-fluorobuta-1,3-dienyl]ethanimine
• PubChem CID: 143228642
• Molecular Formula: C19H20F3N7
• Molecular Weight: 403.41 g/mol
• Exact Mass: 403.17
• IUPAC Name: (Z)-N-[(1Z)-1-[5-[[2-(difluoromethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]-2-fluorobuta-1,3-dienyl]ethanimine
• SMILES: C=C/C(F)=C(\N=C/C)n1nccc1Cc1ncn2nc(C(F)F)nc2c1CCC
• InChI: InChI=1S/C19H20F3N7/c1-4-7-13-15(24-11-28-18(13)26-17(27-28)16(21)22)10-12-8-9-25-29(12)19(23-6-3)14(20)5-2/h5-6,8-9,11,16H,2,4,7,10H2,1,3H3/b19-14-,23-6-
• InChIKey: BWBNSZCIPXTDDX-AVICIPFNSA-N
• XLogP: 4.17
• TPSA: 73.26 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.41
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1Z)-1-[5-[[2-(difluoromethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]-2-fluorobuta-1,3-dienyl]ethanimine?

The IUPAC name of (Z)-N-[(1Z)-1-[5-[[2-(difluoromethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]-2-fluorobuta-1,3-dienyl]ethanimine (CID 143228642) is (Z)-N-[(1Z)-1-[5-[[2-(difluoromethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]-2-fluorobuta-1,3-dienyl]ethanimine.

What is the SMILES notation for (Z)-N-[(1Z)-1-[5-[[2-(difluoromethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]-2-fluorobuta-1,3-dienyl]ethanimine?

The canonical SMILES for (Z)-N-[(1Z)-1-[5-[[2-(difluoromethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]-2-fluorobuta-1,3-dienyl]ethanimine is C=C/C(F)=C(\N=C/C)n1nccc1Cc1ncn2nc(C(F)F)nc2c1CCC.

What is the InChIKey of (Z)-N-[(1Z)-1-[5-[[2-(difluoromethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]-2-fluorobuta-1,3-dienyl]ethanimine?

The InChIKey is BWBNSZCIPXTDDX-AVICIPFNSA-N. The full InChI is InChI=1S/C19H20F3N7/c1-4-7-13-15(24-11-28-18(13)26-17(27-28)16(21)22)10-12-8-9-25-29(12)19(23-6-3)14(20)5-2/h5-6,8-9,11,16H,2,4,7,10H2,1,3H3/b19-14-,23-6-.

What are the key properties of (Z)-N-[(1Z)-1-[5-[[2-(difluoromethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]-2-fluorobuta-1,3-dienyl]ethanimine?

(Z)-N-[(1Z)-1-[5-[[2-(difluoromethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]-2-fluorobuta-1,3-dienyl]ethanimine has a molecular weight of 403.41 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[(1Z)-1-[5-[[2-(difluoromethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]-2-fluorobuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 143228642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).