5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine

C24H24FN7 — CID 145035246

About 5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine

5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine (PubChem CID 145035246) has the molecular formula C24H24FN7 and a molecular weight of 429.50 g/mol. Its IUPAC name is 5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine
• PubChem CID: 145035246
• Molecular Formula: C24H24FN7
• Molecular Weight: 429.50 g/mol
• Exact Mass: 429.21
• IUPAC Name: 5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine
• SMILES: C=C(/C(F)=c1/c(-c2nc3ncccc3[nH]2)n[nH]/c1=C/C)c1cncc(NC(=C)C(C)C)c1
• InChI: InChI=1S/C24H24FN7/c1-6-18-20(22(32-31-18)24-29-19-8-7-9-27-23(19)30-24)21(25)14(4)16-10-17(12-26-11-16)28-15(5)13(2)3/h6-13,28,31H,4-5H2,1-3H3,(H,27,29,30)/b18-6+,21-20-
• InChIKey: WGJWKHGGLDDZCP-CRXDNRLZSA-N
• XLogP: 3.92
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.50
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine?

The IUPAC name of 5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine (CID 145035246) is 5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine.

What is the SMILES notation for 5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine?

The canonical SMILES for 5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine is C=C(/C(F)=c1/c(-c2nc3ncccc3[nH]2)n[nH]/c1=C/C)c1cncc(NC(=C)C(C)C)c1.

What is the InChIKey of 5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine?

The InChIKey is WGJWKHGGLDDZCP-CRXDNRLZSA-N. The full InChI is InChI=1S/C24H24FN7/c1-6-18-20(22(32-31-18)24-29-19-8-7-9-27-23(19)30-24)21(25)14(4)16-10-17(12-26-11-16)28-15(5)13(2)3/h6-13,28,31H,4-5H2,1-3H3,(H,27,29,30)/b18-6+,21-20-.

What are the key properties of 5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine?

5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine has a molecular weight of 429.50 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine is sourced from PubChem (CID 145035246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).