9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(thiophen-2-ylmethyl)purine-8-carboxamide

C24H23N7O2S — CID 66800136

IUPAC9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(thiophen-2-ylmethyl)purine-8-carboxamide
SMILESCn1c(C(=O)NCc2cccs2)nc2c(N3CCC4(CC3)C(=O)Nc3ccccc34)ncnc21
InChIInChI=1S/C24H23N7O2S/c1-30-19-18(29-21(30)22(32)25-13-15-5-4-12-34-15)20(27-14-26-19)31-10-8-24(9-11-31)16-6-2-3-7-17(16)28-23(24)33/h2-7,12,14H,8-11,13H2,1H3,(H,25,32)(H,28,33)
InChIKeyDJPYQQYKJXNDGU-UHFFFAOYSA-N
MW473.56 g/mol
LogP2.85
Rot. Bonds4

About 9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(thiophen-2-ylmethyl)purine-8-carboxamide

9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(thiophen-2-ylmethyl)purine-8-carboxamide (PubChem CID 66800136) has the molecular formula C24H23N7O2S and a molecular weight of 473.56 g/mol. Its IUPAC name is 9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(thiophen-2-ylmethyl)purine-8-carboxamide.

Molecular Properties

Compound Name9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(thiophen-2-ylmethyl)purine-8-carboxamide
PubChem CID66800136
Molecular FormulaC24H23N7O2S
Molecular Weight473.56 g/mol
Exact Mass473.16
IUPAC Name9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(thiophen-2-ylmethyl)purine-8-carboxamide
SMILESCn1c(C(=O)NCc2cccs2)nc2c(N3CCC4(CC3)C(=O)Nc3ccccc34)ncnc21
InChIInChI=1S/C24H23N7O2S/c1-30-19-18(29-21(30)22(32)25-13-15-5-4-12-34-15)20(27-14-26-19)31-10-8-24(9-11-31)16-6-2-3-7-17(16)28-23(24)33/h2-7,12,14H,8-11,13H2,1H3,(H,25,32)(H,28,33)
InChIKeyDJPYQQYKJXNDGU-UHFFFAOYSA-N
XLogP2.85
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(thiophen-2-ylmethyl)purine-8-carboxamide?
The IUPAC name of 9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(thiophen-2-ylmethyl)purine-8-carboxamide (CID 66800136) is 9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(thiophen-2-ylmethyl)purine-8-carboxamide.
What is the SMILES notation for 9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(thiophen-2-ylmethyl)purine-8-carboxamide?
The canonical SMILES for 9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(thiophen-2-ylmethyl)purine-8-carboxamide is Cn1c(C(=O)NCc2cccs2)nc2c(N3CCC4(CC3)C(=O)Nc3ccccc34)ncnc21.
What is the InChIKey of 9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(thiophen-2-ylmethyl)purine-8-carboxamide?
The InChIKey is DJPYQQYKJXNDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2S/c1-30-19-18(29-21(30)22(32)25-13-15-5-4-12-34-15)20(27-14-26-19)31-10-8-24(9-11-31)16-6-2-3-7-17(16)28-23(24)33/h2-7,12,14H,8-11,13H2,1H3,(H,25,32)(H,28,33).
What are the key properties of 9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(thiophen-2-ylmethyl)purine-8-carboxamide?
9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(thiophen-2-ylmethyl)purine-8-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(thiophen-2-ylmethyl)purine-8-carboxamide is sourced from PubChem (CID 66800136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).