(2E,4E)-2-ethenyl-N-ethyl-4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine

C26H24FN7S — CID 145249220

About (2E,4E)-2-ethenyl-N-ethyl-4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine

(2E,4E)-2-ethenyl-N-ethyl-4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine (PubChem CID 145249220) has the molecular formula C26H24FN7S and a molecular weight of 485.59 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-N-ethyl-4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-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-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine
• PubChem CID: 145249220
• Molecular Formula: C26H24FN7S
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.18
• IUPAC Name: (2E,4E)-2-ethenyl-N-ethyl-4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-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(-c3nc4c(-c5ccc(F)s5)cncc4[nH]3)c2n1)CNCC
• InChI: InChI=1S/C26H24FN7S/c1-4-15(12-28-6-3)11-16(5-2)18-7-8-19-24(30-18)25(34-33-19)26-31-20-14-29-13-17(23(20)32-26)21-9-10-22(27)35-21/h4-5,7-11,13-14,28H,1,6,12H2,2-3H3,(H,31,32)(H,33,34)/b15-11+,16-5+
• InChIKey: MIEYDHFCDFWNKX-OKKNRLBYSA-N
• XLogP: 5.89
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-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-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine (CID 145249220) is (2E,4E)-2-ethenyl-N-ethyl-4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-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-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-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-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-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(-c3nc4c(-c5ccc(F)s5)cncc4[nH]3)c2n1)CNCC.

What is the InChIKey of (2E,4E)-2-ethenyl-N-ethyl-4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine?

The InChIKey is MIEYDHFCDFWNKX-OKKNRLBYSA-N. The full InChI is InChI=1S/C26H24FN7S/c1-4-15(12-28-6-3)11-16(5-2)18-7-8-19-24(30-18)25(34-33-19)26-31-20-14-29-13-17(23(20)32-26)21-9-10-22(27)35-21/h4-5,7-11,13-14,28H,1,6,12H2,2-3H3,(H,31,32)(H,33,34)/b15-11+,16-5+.

What are the key properties of (2E,4E)-2-ethenyl-N-ethyl-4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine?

(2E,4E)-2-ethenyl-N-ethyl-4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine has a molecular weight of 485.59 g/mol, XLogP of 5.89, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E)-2-ethenyl-N-ethyl-4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine is sourced from PubChem (CID 145249220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).