1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea

C17H24N4O3 — CID 97071249

About 1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea

1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea (PubChem CID 97071249) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea.

Molecular Properties

• Compound Name: 1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
• PubChem CID: 97071249
• Molecular Formula: C17H24N4O3
• Molecular Weight: 332.40 g/mol
• Exact Mass: 332.18
• IUPAC Name: 1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
• SMILES: COC[C@@H](NC(=O)N[C@@H]1CCCc2c1cnn2C)c1ccc(C)o1
• InChI: InChI=1S/C17H24N4O3/c1-11-7-8-16(24-11)14(10-23-3)20-17(22)19-13-5-4-6-15-12(13)9-18-21(15)2/h7-9,13-14H,4-6,10H2,1-3H3,(H2,19,20,22)/t13-,14-/m1/s1
• InChIKey: SARMDPUDLYHURB-ZIAGYGMSSA-N
• XLogP: 2.39
• TPSA: 81.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.40
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea?

The IUPAC name of 1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea (CID 97071249) is 1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea.

What is the SMILES notation for 1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea?

The canonical SMILES for 1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea is COC[C@@H](NC(=O)N[C@@H]1CCCc2c1cnn2C)c1ccc(C)o1.

What is the InChIKey of 1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea?

The InChIKey is SARMDPUDLYHURB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11-7-8-16(24-11)14(10-23-3)20-17(22)19-13-5-4-6-15-12(13)9-18-21(15)2/h7-9,13-14H,4-6,10H2,1-3H3,(H2,19,20,22)/t13-,14-/m1/s1.

What are the key properties of 1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea?

1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea has a molecular weight of 332.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea is sourced from PubChem (CID 97071249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).