N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide

C26H30N6O2 — CID 54596692

About N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide (PubChem CID 54596692) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide
• PubChem CID: 54596692
• Molecular Formula: C26H30N6O2
• Molecular Weight: 458.57 g/mol
• Exact Mass: 458.24
• IUPAC Name: N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide
• SMILES: CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2cnc(C)nc2)cc2c1cnn2C(C)C
• InChI: InChI=1S/C26H30N6O2/c1-6-7-18-8-16(4)31-26(34)22(18)13-29-25(33)21-9-19(20-11-27-17(5)28-12-20)10-24-23(21)14-30-32(24)15(2)3/h8-12,14-15H,6-7,13H2,1-5H3,(H,29,33)(H,31,34)
• InChIKey: HJEXRYDDTHFTBE-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.57
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide?

The IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide (CID 54596692) is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide.

What is the SMILES notation for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide?

The canonical SMILES for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2cnc(C)nc2)cc2c1cnn2C(C)C.

What is the InChIKey of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide?

The InChIKey is HJEXRYDDTHFTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-6-7-18-8-16(4)31-26(34)22(18)13-29-25(33)21-9-19(20-11-27-17(5)28-12-20)10-24-23(21)14-30-32(24)15(2)3/h8-12,14-15H,6-7,13H2,1-5H3,(H,29,33)(H,31,34).

What are the key properties of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide?

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide is sourced from PubChem (CID 54596692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).