(2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid

C24H24N4O6 — CID 174159570

About (2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid

(2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid (PubChem CID 174159570) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is (2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid.

Molecular Properties

• Compound Name: (2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid
• PubChem CID: 174159570
• Molecular Formula: C24H24N4O6
• Molecular Weight: 464.48 g/mol
• Exact Mass: 464.17
• IUPAC Name: (2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid
• SMILES: COc1ccc2c(c1)C1(C[C@H]1c1ccc3c(N)nn(C(=O)OC(C)(C)C)c3c1)C(=O)N2C(=O)O
• InChI: InChI=1S/C24H24N4O6/c1-23(2,3)34-22(32)28-18-9-12(5-7-14(18)19(25)26-28)16-11-24(16)15-10-13(33-4)6-8-17(15)27(20(24)29)21(30)31/h5-10,16H,11H2,1-4H3,(H2,25,26)(H,30,31)/t16-,24?/m0/s1
• InChIKey: QDOLGNYJIXPODC-FXIRQEPWSA-N
• XLogP: 3.86
• TPSA: 136.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.48
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid?

The IUPAC name of (2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid (CID 174159570) is (2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid.

What is the SMILES notation for (2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid?

The canonical SMILES for (2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid is COc1ccc2c(c1)C1(C[C@H]1c1ccc3c(N)nn(C(=O)OC(C)(C)C)c3c1)C(=O)N2C(=O)O.

What is the InChIKey of (2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid?

The InChIKey is QDOLGNYJIXPODC-FXIRQEPWSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-23(2,3)34-22(32)28-18-9-12(5-7-14(18)19(25)26-28)16-11-24(16)15-10-13(33-4)6-8-17(15)27(20(24)29)21(30)31/h5-10,16H,11H2,1-4H3,(H2,25,26)(H,30,31)/t16-,24?/m0/s1.

What are the key properties of (2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid?

(2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid has a molecular weight of 464.48 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid is sourced from PubChem (CID 174159570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).