N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene

C31H38N6 — CID 142333570

About N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene

N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene (PubChem CID 142333570) has the molecular formula C31H38N6 and a molecular weight of 494.69 g/mol. Its IUPAC name is N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene.

Molecular Properties

• Compound Name: N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene
• PubChem CID: 142333570
• Molecular Formula: C31H38N6
• Molecular Weight: 494.69 g/mol
• Exact Mass: 494.32
• IUPAC Name: N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene
• SMILES: C=C.C=C.C=C(Nc1ccc(C)nc1)c1n[nH]c2ccc(-c3cncc(NC(=C)C4CC4)c3)cc12.CC
• InChI: InChI=1S/C25H24N6.C2H6.2C2H4/c1-15-4-8-21(14-27-15)29-17(3)25-23-11-19(7-9-24(23)30-31-25)20-10-22(13-26-12-20)28-16(2)18-5-6-18;3*1-2/h4,7-14,18,28-29H,2-3,5-6H2,1H3,(H,30,31);1-2H3;2*1-2H2
• InChIKey: BFMBUPJMJGHAJD-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 78.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.69
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene?

The IUPAC name of N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene (CID 142333570) is N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene.

What is the SMILES notation for N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene?

The canonical SMILES for N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene is C=C.C=C.C=C(Nc1ccc(C)nc1)c1n[nH]c2ccc(-c3cncc(NC(=C)C4CC4)c3)cc12.CC.

What is the InChIKey of N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene?

The InChIKey is BFMBUPJMJGHAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6.C2H6.2C2H4/c1-15-4-8-21(14-27-15)29-17(3)25-23-11-19(7-9-24(23)30-31-25)20-10-22(13-26-12-20)28-16(2)18-5-6-18;3*1-2/h4,7-14,18,28-29H,2-3,5-6H2,1H3,(H,30,31);1-2H3;2*1-2H2.

What are the key properties of N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene?

N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene has a molecular weight of 494.69 g/mol, XLogP of 8.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene is sourced from PubChem (CID 142333570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).