1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one

C23H22N8O — CID 66800068

IUPAC1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCCn1c(-c2ccnnc2)nc2c(N3C(=O)C4(CCNCC4)c4ccccc43)ncnc21
InChIInChI=1S/C23H22N8O/c1-2-30-19(15-7-10-27-28-13-15)29-18-20(30)25-14-26-21(18)31-17-6-4-3-5-16(17)23(22(31)32)8-11-24-12-9-23/h3-7,10,13-14,24H,2,8-9,11-12H2,1H3
InChIKeyIBQPZTLHKOKQCJ-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.60
Rot. Bonds3

About 1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one

1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 66800068) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is 1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID66800068
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCCn1c(-c2ccnnc2)nc2c(N3C(=O)C4(CCNCC4)c4ccccc43)ncnc21
InChIInChI=1S/C23H22N8O/c1-2-30-19(15-7-10-27-28-13-15)29-18-20(30)25-14-26-21(18)31-17-6-4-3-5-16(17)23(22(31)32)8-11-24-12-9-23/h3-7,10,13-14,24H,2,8-9,11-12H2,1H3
InChIKeyIBQPZTLHKOKQCJ-UHFFFAOYSA-N
XLogP2.60
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one (CID 66800068) is 1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one is CCn1c(-c2ccnnc2)nc2c(N3C(=O)C4(CCNCC4)c4ccccc43)ncnc21.
What is the InChIKey of 1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is IBQPZTLHKOKQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-2-30-19(15-7-10-27-28-13-15)29-18-20(30)25-14-26-21(18)31-17-6-4-3-5-16(17)23(22(31)32)8-11-24-12-9-23/h3-7,10,13-14,24H,2,8-9,11-12H2,1H3.
What are the key properties of 1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one?
1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 426.48 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 66800068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).