N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide

C23H24N6O3 — CID 66799859

IUPACN-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide
SMILESCn1c(C(=O)NCC2CC2)nc2c(N3CCC4(CC3)C(=O)Oc3ccccc34)ncnc21
InChIInChI=1S/C23H24N6O3/c1-28-18-17(27-20(28)21(30)24-12-14-6-7-14)19(26-13-25-18)29-10-8-23(9-11-29)15-4-2-3-5-16(15)32-22(23)31/h2-5,13-14H,6-12H2,1H3,(H,24,30)
InChIKeyGDIODDFRUGUGAS-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.96
Rot. Bonds4

About N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide

N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide (PubChem CID 66799859) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide
PubChem CID66799859
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide
SMILESCn1c(C(=O)NCC2CC2)nc2c(N3CCC4(CC3)C(=O)Oc3ccccc34)ncnc21
InChIInChI=1S/C23H24N6O3/c1-28-18-17(27-20(28)21(30)24-12-14-6-7-14)19(26-13-25-18)29-10-8-23(9-11-29)15-4-2-3-5-16(15)32-22(23)31/h2-5,13-14H,6-12H2,1H3,(H,24,30)
InChIKeyGDIODDFRUGUGAS-UHFFFAOYSA-N
XLogP1.96
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide 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 N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide (CID 66799859) is N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide is Cn1c(C(=O)NCC2CC2)nc2c(N3CCC4(CC3)C(=O)Oc3ccccc34)ncnc21.
What is the InChIKey of N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide?
The InChIKey is GDIODDFRUGUGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-28-18-17(27-20(28)21(30)24-12-14-6-7-14)19(26-13-25-18)29-10-8-23(9-11-29)15-4-2-3-5-16(15)32-22(23)31/h2-5,13-14H,6-12H2,1H3,(H,24,30).
What are the key properties of N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide?
N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide is sourced from PubChem (CID 66799859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).