5-methyl-N-[2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C18H26N6O2 — CID 167880764

About 5-methyl-N-[2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

5-methyl-N-[2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 167880764) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-methyl-N-[2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• PubChem CID: 167880764
• Molecular Formula: C18H26N6O2
• Molecular Weight: 358.45 g/mol
• Exact Mass: 358.21
• IUPAC Name: 5-methyl-N-[2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• SMILES: Cc1nc(N(C)C(C)CNC(=O)c2n[nH]c3c2CC(C)CC3)cc(=O)[nH]1
• InChI: InChI=1S/C18H26N6O2/c1-10-5-6-14-13(7-10)17(23-22-14)18(26)19-9-11(2)24(4)15-8-16(25)21-12(3)20-15/h8,10-11H,5-7,9H2,1-4H3,(H,19,26)(H,22,23)(H,20,21,25)
• InChIKey: CHZPLOMPYGXDOV-UHFFFAOYSA-N
• XLogP: 1.18
• TPSA: 106.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.45
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

The IUPAC name of 5-methyl-N-[2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 167880764) is 5-methyl-N-[2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-methyl-N-[2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

The canonical SMILES for 5-methyl-N-[2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is Cc1nc(N(C)C(C)CNC(=O)c2n[nH]c3c2CC(C)CC3)cc(=O)[nH]1.

What is the InChIKey of 5-methyl-N-[2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

The InChIKey is CHZPLOMPYGXDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-10-5-6-14-13(7-10)17(23-22-14)18(26)19-9-11(2)24(4)15-8-16(25)21-12(3)20-15/h8,10-11H,5-7,9H2,1-4H3,(H,19,26)(H,22,23)(H,20,21,25).

What are the key properties of 5-methyl-N-[2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

5-methyl-N-[2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 167880764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).