N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide

C23H19N9O — CID 134131728

About N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide

N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide (PubChem CID 134131728) has the molecular formula C23H19N9O and a molecular weight of 437.47 g/mol. Its IUPAC name is N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide.

Molecular Properties

• Compound Name: N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
• PubChem CID: 134131728
• Molecular Formula: C23H19N9O
• Molecular Weight: 437.47 g/mol
• Exact Mass: 437.17
• IUPAC Name: N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
• SMILES: Nc1nc(NC(=O)c2ccccc2Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)n[nH]1
• InChI: InChI=1S/C23H19N9O/c24-22-28-23(32-31-22)27-21(33)17-6-1-2-7-18(17)26-15-8-10-16-19(29-30-20(16)13-15)11-9-14-5-3-4-12-25-14/h1-13,26H,(H,29,30)(H4,24,27,28,31,32,33)/b11-9+
• InChIKey: HOAJLLNBOLNKHV-PKNBQFBNSA-N
• XLogP: 3.82
• TPSA: 150.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.47
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?

The IUPAC name of N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide (CID 134131728) is N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide.

What is the SMILES notation for N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?

The canonical SMILES for N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide is Nc1nc(NC(=O)c2ccccc2Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)n[nH]1.

What is the InChIKey of N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?

The InChIKey is HOAJLLNBOLNKHV-PKNBQFBNSA-N. The full InChI is InChI=1S/C23H19N9O/c24-22-28-23(32-31-22)27-21(33)17-6-1-2-7-18(17)26-15-8-10-16-19(29-30-20(16)13-15)11-9-14-5-3-4-12-25-14/h1-13,26H,(H,29,30)(H4,24,27,28,31,32,33)/b11-9+.

What are the key properties of N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?

N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide has a molecular weight of 437.47 g/mol, XLogP of 3.82, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide is sourced from PubChem (CID 134131728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).