(Z)-N-ethenyl-2-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]but-2-en-1-imine

C26H21FN6S — CID 145034709

About (Z)-N-ethenyl-2-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]but-2-en-1-imine

(Z)-N-ethenyl-2-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]but-2-en-1-imine (PubChem CID 145034709) has the molecular formula C26H21FN6S and a molecular weight of 468.56 g/mol. Its IUPAC name is (Z)-N-ethenyl-2-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]but-2-en-1-imine.

Molecular Properties

• Compound Name: (Z)-N-ethenyl-2-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]but-2-en-1-imine
• PubChem CID: 145034709
• Molecular Formula: C26H21FN6S
• Molecular Weight: 468.56 g/mol
• Exact Mass: 468.15
• IUPAC Name: (Z)-N-ethenyl-2-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]but-2-en-1-imine
• SMILES: C=C/N=C/C(=C\C)c1cc(F)c2n[nH]c(-c3nc4c(-c5ccc(C(=C)C)s5)nccc4[nH]3)c2c1
• InChI: InChI=1S/C26H21FN6S/c1-5-15(13-28-6-2)16-11-17-22(18(27)12-16)32-33-23(17)26-30-19-9-10-29-25(24(19)31-26)21-8-7-20(34-21)14(3)4/h5-13H,2-3H2,1,4H3,(H,30,31)(H,32,33)/b15-5+,28-13+
• InChIKey: KEWDKDKLUIHLIT-HGHZLWQGSA-N
• XLogP: 7.02
• TPSA: 82.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.56
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-2-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]but-2-en-1-imine?

The IUPAC name of (Z)-N-ethenyl-2-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]but-2-en-1-imine (CID 145034709) is (Z)-N-ethenyl-2-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]but-2-en-1-imine.

What is the SMILES notation for (Z)-N-ethenyl-2-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]but-2-en-1-imine?

The canonical SMILES for (Z)-N-ethenyl-2-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]but-2-en-1-imine is C=C/N=C/C(=C\C)c1cc(F)c2n[nH]c(-c3nc4c(-c5ccc(C(=C)C)s5)nccc4[nH]3)c2c1.

What is the InChIKey of (Z)-N-ethenyl-2-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]but-2-en-1-imine?

The InChIKey is KEWDKDKLUIHLIT-HGHZLWQGSA-N. The full InChI is InChI=1S/C26H21FN6S/c1-5-15(13-28-6-2)16-11-17-22(18(27)12-16)32-33-23(17)26-30-19-9-10-29-25(24(19)31-26)21-8-7-20(34-21)14(3)4/h5-13H,2-3H2,1,4H3,(H,30,31)(H,32,33)/b15-5+,28-13+.

What are the key properties of (Z)-N-ethenyl-2-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]but-2-en-1-imine?

(Z)-N-ethenyl-2-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]but-2-en-1-imine has a molecular weight of 468.56 g/mol, XLogP of 7.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-ethenyl-2-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]but-2-en-1-imine is sourced from PubChem (CID 145034709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).