tert-butyl 3-carbamoyl-3-[[5-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]indazol-2-yl]methyl]azetidine-1-carboxylate

C24H34N4O7 — CID 130406958

About tert-butyl 3-carbamoyl-3-[[5-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]indazol-2-yl]methyl]azetidine-1-carboxylate

tert-butyl 3-carbamoyl-3-[[5-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]indazol-2-yl]methyl]azetidine-1-carboxylate (PubChem CID 130406958) has the molecular formula C24H34N4O7 and a molecular weight of 490.56 g/mol. Its IUPAC name is tert-butyl 3-carbamoyl-3-[[5-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]indazol-2-yl]methyl]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-carbamoyl-3-[[5-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]indazol-2-yl]methyl]azetidine-1-carboxylate
• PubChem CID: 130406958
• Molecular Formula: C24H34N4O7
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.24
• IUPAC Name: tert-butyl 3-carbamoyl-3-[[5-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]indazol-2-yl]methyl]azetidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)[C@H](O)COc1ccc2nn(CC3(C(N)=O)CN(C(=O)OC(C)(C)C)C3)cc2c1
• InChI: InChI=1S/C24H34N4O7/c1-22(2,3)34-19(30)18(29)11-33-16-7-8-17-15(9-16)10-28(26-17)14-24(20(25)31)12-27(13-24)21(32)35-23(4,5)6/h7-10,18,29H,11-14H2,1-6H3,(H2,25,31)/t18-/m1/s1
• InChIKey: CBFWBXIVYMKUSS-GOSISDBHSA-N
• XLogP: 1.84
• TPSA: 146.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-carbamoyl-3-[[5-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]indazol-2-yl]methyl]azetidine-1-carboxylate?

The IUPAC name of tert-butyl 3-carbamoyl-3-[[5-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]indazol-2-yl]methyl]azetidine-1-carboxylate (CID 130406958) is tert-butyl 3-carbamoyl-3-[[5-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]indazol-2-yl]methyl]azetidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-carbamoyl-3-[[5-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]indazol-2-yl]methyl]azetidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-carbamoyl-3-[[5-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]indazol-2-yl]methyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)[C@H](O)COc1ccc2nn(CC3(C(N)=O)CN(C(=O)OC(C)(C)C)C3)cc2c1.

What is the InChIKey of tert-butyl 3-carbamoyl-3-[[5-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]indazol-2-yl]methyl]azetidine-1-carboxylate?

The InChIKey is CBFWBXIVYMKUSS-GOSISDBHSA-N. The full InChI is InChI=1S/C24H34N4O7/c1-22(2,3)34-19(30)18(29)11-33-16-7-8-17-15(9-16)10-28(26-17)14-24(20(25)31)12-27(13-24)21(32)35-23(4,5)6/h7-10,18,29H,11-14H2,1-6H3,(H2,25,31)/t18-/m1/s1.

What are the key properties of tert-butyl 3-carbamoyl-3-[[5-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]indazol-2-yl]methyl]azetidine-1-carboxylate?

tert-butyl 3-carbamoyl-3-[[5-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]indazol-2-yl]methyl]azetidine-1-carboxylate has a molecular weight of 490.56 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-carbamoyl-3-[[5-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]indazol-2-yl]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 130406958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).