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

C24H23N7O3 — CID 66802860

IUPACN-(furan-2-ylmethyl)-9-methyl-6-(2-oxospiro[indole-3,4'-piperidine]-1-yl)purine-8-carboxamide
SMILESCn1c(C(=O)NCc2ccco2)nc2c(N3C(=O)C4(CCNCC4)c4ccccc43)ncnc21
InChIInChI=1S/C24H23N7O3/c1-30-19-18(29-21(30)22(32)26-13-15-5-4-12-34-15)20(28-14-27-19)31-17-7-3-2-6-16(17)24(23(31)33)8-10-25-11-9-24/h2-7,12,14,25H,8-11,13H2,1H3,(H,26,32)
InChIKeyLXNYANCJZVYGBM-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.19
Rot. Bonds4

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

N-(furan-2-ylmethyl)-9-methyl-6-(2-oxospiro[indole-3,4'-piperidine]-1-yl)purine-8-carboxamide (PubChem CID 66802860) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-9-methyl-6-(2-oxospiro[indole-3,4'-piperidine]-1-yl)purine-8-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-9-methyl-6-(2-oxospiro[indole-3,4'-piperidine]-1-yl)purine-8-carboxamide
PubChem CID66802860
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC NameN-(furan-2-ylmethyl)-9-methyl-6-(2-oxospiro[indole-3,4'-piperidine]-1-yl)purine-8-carboxamide
SMILESCn1c(C(=O)NCc2ccco2)nc2c(N3C(=O)C4(CCNCC4)c4ccccc43)ncnc21
InChIInChI=1S/C24H23N7O3/c1-30-19-18(29-21(30)22(32)26-13-15-5-4-12-34-15)20(28-14-27-19)31-17-7-3-2-6-16(17)24(23(31)33)8-10-25-11-9-24/h2-7,12,14,25H,8-11,13H2,1H3,(H,26,32)
InChIKeyLXNYANCJZVYGBM-UHFFFAOYSA-N
XLogP2.19
TPSA118.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-9-methyl-6-(2-oxospiro[indole-3,4'-piperidine]-1-yl)purine-8-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-9-methyl-6-(2-oxospiro[indole-3,4'-piperidine]-1-yl)purine-8-carboxamide (CID 66802860) is N-(furan-2-ylmethyl)-9-methyl-6-(2-oxospiro[indole-3,4'-piperidine]-1-yl)purine-8-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-9-methyl-6-(2-oxospiro[indole-3,4'-piperidine]-1-yl)purine-8-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-9-methyl-6-(2-oxospiro[indole-3,4'-piperidine]-1-yl)purine-8-carboxamide is Cn1c(C(=O)NCc2ccco2)nc2c(N3C(=O)C4(CCNCC4)c4ccccc43)ncnc21.
What is the InChIKey of N-(furan-2-ylmethyl)-9-methyl-6-(2-oxospiro[indole-3,4'-piperidine]-1-yl)purine-8-carboxamide?
The InChIKey is LXNYANCJZVYGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-30-19-18(29-21(30)22(32)26-13-15-5-4-12-34-15)20(28-14-27-19)31-17-7-3-2-6-16(17)24(23(31)33)8-10-25-11-9-24/h2-7,12,14,25H,8-11,13H2,1H3,(H,26,32).
What are the key properties of N-(furan-2-ylmethyl)-9-methyl-6-(2-oxospiro[indole-3,4'-piperidine]-1-yl)purine-8-carboxamide?
N-(furan-2-ylmethyl)-9-methyl-6-(2-oxospiro[indole-3,4'-piperidine]-1-yl)purine-8-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-9-methyl-6-(2-oxospiro[indole-3,4'-piperidine]-1-yl)purine-8-carboxamide is sourced from PubChem (CID 66802860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).