1-(2,3-dimethylindazol-6-yl)-1-methyl-3-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)oxyphenyl]urea

C27H25N7O2 — CID 141356318

About 1-(2,3-dimethylindazol-6-yl)-1-methyl-3-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)oxyphenyl]urea

1-(2,3-dimethylindazol-6-yl)-1-methyl-3-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)oxyphenyl]urea (PubChem CID 141356318) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is 1-(2,3-dimethylindazol-6-yl)-1-methyl-3-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)oxyphenyl]urea.

Molecular Properties

• Compound Name: 1-(2,3-dimethylindazol-6-yl)-1-methyl-3-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)oxyphenyl]urea
• PubChem CID: 141356318
• Molecular Formula: C27H25N7O2
• Molecular Weight: 479.54 g/mol
• Exact Mass: 479.21
• IUPAC Name: 1-(2,3-dimethylindazol-6-yl)-1-methyl-3-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)oxyphenyl]urea
• SMILES: Cc1ccc(NC(=O)N(C)c2ccc3c(C)n(C)nc3c2)cc1Oc1nccc(-c2cccnc2)n1
• InChI: InChI=1S/C27H25N7O2/c1-17-7-8-20(14-25(17)36-26-29-13-11-23(31-26)19-6-5-12-28-16-19)30-27(35)33(3)21-9-10-22-18(2)34(4)32-24(22)15-21/h5-16H,1-4H3,(H,30,35)
• InChIKey: SVFTWBDTQSSKTL-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.54
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindazol-6-yl)-1-methyl-3-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)oxyphenyl]urea?

The IUPAC name of 1-(2,3-dimethylindazol-6-yl)-1-methyl-3-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)oxyphenyl]urea (CID 141356318) is 1-(2,3-dimethylindazol-6-yl)-1-methyl-3-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)oxyphenyl]urea.

What is the SMILES notation for 1-(2,3-dimethylindazol-6-yl)-1-methyl-3-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)oxyphenyl]urea?

The canonical SMILES for 1-(2,3-dimethylindazol-6-yl)-1-methyl-3-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)oxyphenyl]urea is Cc1ccc(NC(=O)N(C)c2ccc3c(C)n(C)nc3c2)cc1Oc1nccc(-c2cccnc2)n1.

What is the InChIKey of 1-(2,3-dimethylindazol-6-yl)-1-methyl-3-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)oxyphenyl]urea?

The InChIKey is SVFTWBDTQSSKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-17-7-8-20(14-25(17)36-26-29-13-11-23(31-26)19-6-5-12-28-16-19)30-27(35)33(3)21-9-10-22-18(2)34(4)32-24(22)15-21/h5-16H,1-4H3,(H,30,35).

What are the key properties of 1-(2,3-dimethylindazol-6-yl)-1-methyl-3-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)oxyphenyl]urea?

1-(2,3-dimethylindazol-6-yl)-1-methyl-3-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)oxyphenyl]urea has a molecular weight of 479.54 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dimethylindazol-6-yl)-1-methyl-3-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)oxyphenyl]urea is sourced from PubChem (CID 141356318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).