5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one

C22H26N6O — CID 144600657

IUPAC5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one
SMILESCCc1ncnc2ncn(-c3ccc(N4CCC5(CC4)CC(C)C5)nc3)c(=O)c12
InChIInChI=1S/C22H26N6O/c1-3-17-19-20(25-13-24-17)26-14-28(21(19)29)16-4-5-18(23-12-16)27-8-6-22(7-9-27)10-15(2)11-22/h4-5,12-15H,3,6-11H2,1-2H3
InChIKeyLXGKCXYPIFEPIH-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.15
Rot. Bonds3

About 5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one

5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one (PubChem CID 144600657) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one
PubChem CID144600657
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one
SMILESCCc1ncnc2ncn(-c3ccc(N4CCC5(CC4)CC(C)C5)nc3)c(=O)c12
InChIInChI=1S/C22H26N6O/c1-3-17-19-20(25-13-24-17)26-14-28(21(19)29)16-4-5-18(23-12-16)27-8-6-22(7-9-27)10-15(2)11-22/h4-5,12-15H,3,6-11H2,1-2H3
InChIKeyLXGKCXYPIFEPIH-UHFFFAOYSA-N
XLogP3.15
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one with MolForge

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Related Compounds

N-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine
CID 144600692
4-ethyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one
CID 58269465
6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine
CID 144600690
5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63464475
6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine
CID 123878669
6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one
CID 156711747
4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one
CID 58269477
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63161227
2-methoxy-7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonane
CID 97451275
7-(6-ethyl-3-pyridinyl)-2,7-diazaspiro[3.5]nonane
CID 129276102
8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 113236174
6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one
CID 167254254

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one?
The IUPAC name of 5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one (CID 144600657) is 5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one.
What is the SMILES notation for 5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one?
The canonical SMILES for 5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one is CCc1ncnc2ncn(-c3ccc(N4CCC5(CC4)CC(C)C5)nc3)c(=O)c12.
What is the InChIKey of 5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one?
The InChIKey is LXGKCXYPIFEPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-3-17-19-20(25-13-24-17)26-14-28(21(19)29)16-4-5-18(23-12-16)27-8-6-22(7-9-27)10-15(2)11-22/h4-5,12-15H,3,6-11H2,1-2H3.
What are the key properties of 5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one?
5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one has a molecular weight of 390.49 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrimido[4,5-d]pyrimidin-4-one is sourced from PubChem (CID 144600657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).