2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide

C28H24N6O — CID 10253717

About 2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide

2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 10253717) has the molecular formula C28H24N6O and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide
• PubChem CID: 10253717
• Molecular Formula: C28H24N6O
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.20
• IUPAC Name: 2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide
• SMILES: Cc1ccnc(/C=C/c2n[nH]c3cc(Nc4ccccc4C(=O)NCc4ccncc4)ccc23)c1
• InChI: InChI=1S/C28H24N6O/c1-19-10-15-30-21(16-19)7-9-26-23-8-6-22(17-27(23)34-33-26)32-25-5-3-2-4-24(25)28(35)31-18-20-11-13-29-14-12-20/h2-17,32H,18H2,1H3,(H,31,35)(H,33,34)/b9-7+
• InChIKey: UEPNVCARFBRPCI-VQHVLOKHSA-N
• XLogP: 5.51
• TPSA: 95.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide?

The IUPAC name of 2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide (CID 10253717) is 2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide.

What is the SMILES notation for 2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide?

The canonical SMILES for 2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide is Cc1ccnc(/C=C/c2n[nH]c3cc(Nc4ccccc4C(=O)NCc4ccncc4)ccc23)c1.

What is the InChIKey of 2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide?

The InChIKey is UEPNVCARFBRPCI-VQHVLOKHSA-N. The full InChI is InChI=1S/C28H24N6O/c1-19-10-15-30-21(16-19)7-9-26-23-8-6-22(17-27(23)34-33-26)32-25-5-3-2-4-24(25)28(35)31-18-20-11-13-29-14-12-20/h2-17,32H,18H2,1H3,(H,31,35)(H,33,34)/b9-7+.

What are the key properties of 2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide?

2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 460.54 g/mol, XLogP of 5.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 10253717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).