(2E,4E,5E,7E)-2-ethenyl-4-ethylidene-7-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]-N,N,5-trimethylhepta-2,5-dien-1-amine

C32H34FN5 — CID 145251675

About (2E,4E,5E,7E)-2-ethenyl-4-ethylidene-7-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]-N,N,5-trimethylhepta-2,5-dien-1-amine

(2E,4E,5E,7E)-2-ethenyl-4-ethylidene-7-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]-N,N,5-trimethylhepta-2,5-dien-1-amine (PubChem CID 145251675) has the molecular formula C32H34FN5 and a molecular weight of 507.66 g/mol. Its IUPAC name is (2E,4E,5E,7E)-2-ethenyl-4-ethylidene-7-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]-N,N,5-trimethylhepta-2,5-dien-1-amine.

Molecular Properties

• Compound Name: (2E,4E,5E,7E)-2-ethenyl-4-ethylidene-7-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]-N,N,5-trimethylhepta-2,5-dien-1-amine
• PubChem CID: 145251675
• Molecular Formula: C32H34FN5
• Molecular Weight: 507.66 g/mol
• Exact Mass: 507.28
• IUPAC Name: (2E,4E,5E,7E)-2-ethenyl-4-ethylidene-7-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]-N,N,5-trimethylhepta-2,5-dien-1-amine
• SMILES: C=C/C(=C\C(=C/C)\C(C)=C\C=c1\[nH]nc(-c2cc3c(-c4cc(C)cc(F)c4)ccnc3[nH]2)c1=C)CN(C)C
• InChI: InChI=1S/C32H34FN5/c1-8-23(19-38(6)7)16-24(9-2)21(4)10-11-29-22(5)31(37-36-29)30-18-28-27(12-13-34-32(28)35-30)25-14-20(3)15-26(33)17-25/h8-18,36H,1,5,19H2,2-4,6-7H3,(H,34,35)/b21-10+,23-16+,24-9+,29-11+
• InChIKey: WRTOVZLHFCDSNZ-DKVKAZJMSA-N
• XLogP: 5.82
• TPSA: 60.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.66
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,4E,5E,7E)-2-ethenyl-4-ethylidene-7-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]-N,N,5-trimethylhepta-2,5-dien-1-amine?

The IUPAC name of (2E,4E,5E,7E)-2-ethenyl-4-ethylidene-7-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]-N,N,5-trimethylhepta-2,5-dien-1-amine (CID 145251675) is (2E,4E,5E,7E)-2-ethenyl-4-ethylidene-7-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]-N,N,5-trimethylhepta-2,5-dien-1-amine.

What is the SMILES notation for (2E,4E,5E,7E)-2-ethenyl-4-ethylidene-7-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]-N,N,5-trimethylhepta-2,5-dien-1-amine?

The canonical SMILES for (2E,4E,5E,7E)-2-ethenyl-4-ethylidene-7-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]-N,N,5-trimethylhepta-2,5-dien-1-amine is C=C/C(=C\C(=C/C)\C(C)=C\C=c1\[nH]nc(-c2cc3c(-c4cc(C)cc(F)c4)ccnc3[nH]2)c1=C)CN(C)C.

What is the InChIKey of (2E,4E,5E,7E)-2-ethenyl-4-ethylidene-7-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]-N,N,5-trimethylhepta-2,5-dien-1-amine?

The InChIKey is WRTOVZLHFCDSNZ-DKVKAZJMSA-N. The full InChI is InChI=1S/C32H34FN5/c1-8-23(19-38(6)7)16-24(9-2)21(4)10-11-29-22(5)31(37-36-29)30-18-28-27(12-13-34-32(28)35-30)25-14-20(3)15-26(33)17-25/h8-18,36H,1,5,19H2,2-4,6-7H3,(H,34,35)/b21-10+,23-16+,24-9+,29-11+.

What are the key properties of (2E,4E,5E,7E)-2-ethenyl-4-ethylidene-7-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]-N,N,5-trimethylhepta-2,5-dien-1-amine?

(2E,4E,5E,7E)-2-ethenyl-4-ethylidene-7-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]-N,N,5-trimethylhepta-2,5-dien-1-amine has a molecular weight of 507.66 g/mol, XLogP of 5.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E,5E,7E)-2-ethenyl-4-ethylidene-7-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]-N,N,5-trimethylhepta-2,5-dien-1-amine is sourced from PubChem (CID 145251675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).