(2E,4E)-2-ethenyl-N-ethyl-4-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine

C28H26FN5S — CID 145250049

About (2E,4E)-2-ethenyl-N-ethyl-4-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine

(2E,4E)-2-ethenyl-N-ethyl-4-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine (PubChem CID 145250049) has the molecular formula C28H26FN5S and a molecular weight of 483.62 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-N-ethyl-4-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine.

Molecular Properties

• Compound Name: (2E,4E)-2-ethenyl-N-ethyl-4-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine
• PubChem CID: 145250049
• Molecular Formula: C28H26FN5S
• Molecular Weight: 483.62 g/mol
• Exact Mass: 483.19
• IUPAC Name: (2E,4E)-2-ethenyl-N-ethyl-4-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine
• SMILES: C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-c5ccc(F)s5)cccc4[nH]3)c2n1)CNCC
• InChI: InChI=1S/C28H26FN5S/c1-4-17(16-30-6-3)14-18(5-2)21-10-11-23-27(32-21)28(34-33-23)24-15-20-19(8-7-9-22(20)31-24)25-12-13-26(29)35-25/h4-5,7-15,30-31H,1,6,16H2,2-3H3,(H,33,34)/b17-14+,18-5+
• InChIKey: IIMAHSCXRBGZJJ-CHLOVLFXSA-N
• XLogP: 7.10
• TPSA: 69.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.62
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethenyl-N-ethyl-4-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine?

The IUPAC name of (2E,4E)-2-ethenyl-N-ethyl-4-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine (CID 145250049) is (2E,4E)-2-ethenyl-N-ethyl-4-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine.

What is the SMILES notation for (2E,4E)-2-ethenyl-N-ethyl-4-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine?

The canonical SMILES for (2E,4E)-2-ethenyl-N-ethyl-4-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine is C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-c5ccc(F)s5)cccc4[nH]3)c2n1)CNCC.

What is the InChIKey of (2E,4E)-2-ethenyl-N-ethyl-4-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine?

The InChIKey is IIMAHSCXRBGZJJ-CHLOVLFXSA-N. The full InChI is InChI=1S/C28H26FN5S/c1-4-17(16-30-6-3)14-18(5-2)21-10-11-23-27(32-21)28(34-33-23)24-15-20-19(8-7-9-22(20)31-24)25-12-13-26(29)35-25/h4-5,7-15,30-31H,1,6,16H2,2-3H3,(H,33,34)/b17-14+,18-5+.

What are the key properties of (2E,4E)-2-ethenyl-N-ethyl-4-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine?

(2E,4E)-2-ethenyl-N-ethyl-4-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine has a molecular weight of 483.62 g/mol, XLogP of 7.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E)-2-ethenyl-N-ethyl-4-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine is sourced from PubChem (CID 145250049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).