5-(6-methoxypyrimidin-4-yl)-2-[6-[(3R)-3-methyl-3-(oxetan-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]phenol

C23H26N6O3 — CID 167503702

About 5-(6-methoxypyrimidin-4-yl)-2-[6-[(3R)-3-methyl-3-(oxetan-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]phenol

5-(6-methoxypyrimidin-4-yl)-2-[6-[(3R)-3-methyl-3-(oxetan-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]phenol (PubChem CID 167503702) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 5-(6-methoxypyrimidin-4-yl)-2-[6-[(3R)-3-methyl-3-(oxetan-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]phenol.

Molecular Properties

• Compound Name: 5-(6-methoxypyrimidin-4-yl)-2-[6-[(3R)-3-methyl-3-(oxetan-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]phenol
• PubChem CID: 167503702
• Molecular Formula: C23H26N6O3
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.21
• IUPAC Name: 5-(6-methoxypyrimidin-4-yl)-2-[6-[(3R)-3-methyl-3-(oxetan-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]phenol
• SMILES: COc1cc(-c2ccc(-c3ccc(N4CC[C@@](C)(NC5COC5)C4)nn3)c(O)c2)ncn1
• InChI: InChI=1S/C23H26N6O3/c1-23(26-16-11-32-12-16)7-8-29(13-23)21-6-5-18(27-28-21)17-4-3-15(9-20(17)30)19-10-22(31-2)25-14-24-19/h3-6,9-10,14,16,26,30H,7-8,11-13H2,1-2H3/t23-/m1/s1
• InChIKey: GJPLWTPTMPOFFE-HSZRJFAPSA-N
• XLogP: 2.27
• TPSA: 105.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxypyrimidin-4-yl)-2-[6-[(3R)-3-methyl-3-(oxetan-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]phenol?

The IUPAC name of 5-(6-methoxypyrimidin-4-yl)-2-[6-[(3R)-3-methyl-3-(oxetan-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]phenol (CID 167503702) is 5-(6-methoxypyrimidin-4-yl)-2-[6-[(3R)-3-methyl-3-(oxetan-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]phenol.

What is the SMILES notation for 5-(6-methoxypyrimidin-4-yl)-2-[6-[(3R)-3-methyl-3-(oxetan-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]phenol?

The canonical SMILES for 5-(6-methoxypyrimidin-4-yl)-2-[6-[(3R)-3-methyl-3-(oxetan-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]phenol is COc1cc(-c2ccc(-c3ccc(N4CC[C@@](C)(NC5COC5)C4)nn3)c(O)c2)ncn1.

What is the InChIKey of 5-(6-methoxypyrimidin-4-yl)-2-[6-[(3R)-3-methyl-3-(oxetan-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]phenol?

The InChIKey is GJPLWTPTMPOFFE-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-23(26-16-11-32-12-16)7-8-29(13-23)21-6-5-18(27-28-21)17-4-3-15(9-20(17)30)19-10-22(31-2)25-14-24-19/h3-6,9-10,14,16,26,30H,7-8,11-13H2,1-2H3/t23-/m1/s1.

What are the key properties of 5-(6-methoxypyrimidin-4-yl)-2-[6-[(3R)-3-methyl-3-(oxetan-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]phenol?

5-(6-methoxypyrimidin-4-yl)-2-[6-[(3R)-3-methyl-3-(oxetan-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]phenol has a molecular weight of 434.50 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-methoxypyrimidin-4-yl)-2-[6-[(3R)-3-methyl-3-(oxetan-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 167503702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).