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 174218287

IUPAC2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid
SMILESCOc1ccc2c(c1)C1(CC1c1ccc3c(N)nn(C(=O)OC(C)(C)C)c3c1)C(=O)N2C(=O)O
InChIInChI=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)
InChIKeyQDOLGNYJIXPODC-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.86
Rot. Bonds2

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

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 174218287) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is 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 Name2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid
PubChem CID174218287
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Name2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid
SMILESCOc1ccc2c(c1)C1(CC1c1ccc3c(N)nn(C(=O)OC(C)(C)C)c3c1)C(=O)N2C(=O)O
InChIInChI=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)
InChIKeyQDOLGNYJIXPODC-UHFFFAOYSA-N
XLogP3.86
TPSA136.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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 2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid (CID 174218287) is 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 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 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(CC1c1ccc3c(N)nn(C(=O)OC(C)(C)C)c3c1)C(=O)N2C(=O)O.
What is the InChIKey of 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-UHFFFAOYSA-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).
What are the key properties of 2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid?
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 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 174218287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).