5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C24H25N7O2 — CID 89450628

About 5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450628) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89450628
• Molecular Formula: C24H25N7O2
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.21
• IUPAC Name: 5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CCC(CC)NC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N)c4)cc23)cn1
• InChI: InChI=1S/C24H25N7O2/c1-3-17(4-2)28-23(32)21-8-6-18(13-27-21)29-24(33)22-19-10-14(5-7-20(19)30-31-22)15-9-16(25)12-26-11-15/h5-13,17H,3-4,25H2,1-2H3,(H,28,32)(H,29,33)(H,30,31)
• InChIKey: UQEKGMLCJLWJFM-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 138.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.51
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450628) is 5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CCC(CC)NC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N)c4)cc23)cn1.

What is the InChIKey of 5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is UQEKGMLCJLWJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-3-17(4-2)28-23(32)21-8-6-18(13-27-21)29-24(33)22-19-10-14(5-7-20(19)30-31-22)15-9-16(25)12-26-11-15/h5-13,17H,3-4,25H2,1-2H3,(H,28,32)(H,29,33)(H,30,31).

What are the key properties of 5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.77, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).