2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine

C28H24FN5 — CID 145247705

About 2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine

2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine (PubChem CID 145247705) has the molecular formula C28H24FN5 and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

• Compound Name: 2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
• PubChem CID: 145247705
• Molecular Formula: C28H24FN5
• Molecular Weight: 449.53 g/mol
• Exact Mass: 449.20
• IUPAC Name: 2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
• SMILES: C=C(/C=c1/c(-c2cc3c(-c4ccccc4F)nccc3[nH]2)n[nH]/c1=C/C)c1cncc(CC)c1
• InChI: InChI=1S/C28H24FN5/c1-4-18-13-19(16-30-15-18)17(3)12-21-24(5-2)33-34-28(21)26-14-22-25(32-26)10-11-31-27(22)20-8-6-7-9-23(20)29/h5-16,32-33H,3-4H2,1-2H3/b21-12+,24-5+
• InChIKey: VGNPMEICVWPXAF-BKWOJTBNSA-N
• XLogP: 5.01
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.53
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine?

The IUPAC name of 2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine (CID 145247705) is 2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine.

What is the SMILES notation for 2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine?

The canonical SMILES for 2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine is C=C(/C=c1/c(-c2cc3c(-c4ccccc4F)nccc3[nH]2)n[nH]/c1=C/C)c1cncc(CC)c1.

What is the InChIKey of 2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine?

The InChIKey is VGNPMEICVWPXAF-BKWOJTBNSA-N. The full InChI is InChI=1S/C28H24FN5/c1-4-18-13-19(16-30-15-18)17(3)12-21-24(5-2)33-34-28(21)26-14-22-25(32-26)10-11-31-27(22)20-8-6-7-9-23(20)29/h5-16,32-33H,3-4H2,1-2H3/b21-12+,24-5+.

What are the key properties of 2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine?

2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 449.53 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 145247705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).