2-amino-4-(furan-2-yl)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile;[(3Z,5Z)-2-methylidene-1-phenylhepta-3,5-dienyl]benzene

C34H31N5O — CID 142908419

About 2-amino-4-(furan-2-yl)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile;[(3Z,5Z)-2-methylidene-1-phenylhepta-3,5-dienyl]benzene

2-amino-4-(furan-2-yl)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile;[(3Z,5Z)-2-methylidene-1-phenylhepta-3,5-dienyl]benzene (PubChem CID 142908419) has the molecular formula C34H31N5O and a molecular weight of 525.66 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile;[(3Z,5Z)-2-methylidene-1-phenylhepta-3,5-dienyl]benzene.

Molecular Properties

• Compound Name: 2-amino-4-(furan-2-yl)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile;[(3Z,5Z)-2-methylidene-1-phenylhepta-3,5-dienyl]benzene
• PubChem CID: 142908419
• Molecular Formula: C34H31N5O
• Molecular Weight: 525.66 g/mol
• Exact Mass: 525.25
• IUPAC Name: 2-amino-4-(furan-2-yl)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile;[(3Z,5Z)-2-methylidene-1-phenylhepta-3,5-dienyl]benzene
• SMILES: C=C(/C=C\C=C/C)C(c1ccccc1)c1ccccc1.Cn1cc(-c2cc(-c3ccco3)c(C#N)c(N)n2)cn1
• InChI: InChI=1S/C20H20.C14H11N5O/c1-3-4-7-12-17(2)20(18-13-8-5-9-14-18)19-15-10-6-11-16-19;1-19-8-9(7-17-19)12-5-10(13-3-2-4-20-13)11(6-15)14(16)18-12/h3-16,20H,2H2,1H3;2-5,7-8H,1H3,(H2,16,18)/b4-3-,12-7-
• InChIKey: AFEVDYZTHVTNSE-QKLBCRHFSA-N
• XLogP: 7.70
• TPSA: 93.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.66
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	1
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 2-amino-4-(furan-2-yl)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile;[(3Z,5Z)-2-methylidene-1-phenylhepta-3,5-dienyl]benzene?

The IUPAC name of 2-amino-4-(furan-2-yl)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile;[(3Z,5Z)-2-methylidene-1-phenylhepta-3,5-dienyl]benzene (CID 142908419) is 2-amino-4-(furan-2-yl)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile;[(3Z,5Z)-2-methylidene-1-phenylhepta-3,5-dienyl]benzene.

What is the SMILES notation for 2-amino-4-(furan-2-yl)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile;[(3Z,5Z)-2-methylidene-1-phenylhepta-3,5-dienyl]benzene?

The canonical SMILES for 2-amino-4-(furan-2-yl)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile;[(3Z,5Z)-2-methylidene-1-phenylhepta-3,5-dienyl]benzene is C=C(/C=C\C=C/C)C(c1ccccc1)c1ccccc1.Cn1cc(-c2cc(-c3ccco3)c(C#N)c(N)n2)cn1.

What is the InChIKey of 2-amino-4-(furan-2-yl)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile;[(3Z,5Z)-2-methylidene-1-phenylhepta-3,5-dienyl]benzene?

The InChIKey is AFEVDYZTHVTNSE-QKLBCRHFSA-N. The full InChI is InChI=1S/C20H20.C14H11N5O/c1-3-4-7-12-17(2)20(18-13-8-5-9-14-18)19-15-10-6-11-16-19;1-19-8-9(7-17-19)12-5-10(13-3-2-4-20-13)11(6-15)14(16)18-12/h3-16,20H,2H2,1H3;2-5,7-8H,1H3,(H2,16,18)/b4-3-,12-7-;.

What are the key properties of 2-amino-4-(furan-2-yl)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile;[(3Z,5Z)-2-methylidene-1-phenylhepta-3,5-dienyl]benzene?

2-amino-4-(furan-2-yl)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile;[(3Z,5Z)-2-methylidene-1-phenylhepta-3,5-dienyl]benzene has a molecular weight of 525.66 g/mol, XLogP of 7.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-(furan-2-yl)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile;[(3Z,5Z)-2-methylidene-1-phenylhepta-3,5-dienyl]benzene is sourced from PubChem (CID 142908419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).