8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane

C18H26N6O — CID 97396996

IUPAC8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCOc1cc(N2CCC3(CCCN3Cc3cnn(C)c3)CC2)ncn1
InChIInChI=1S/C18H26N6O/c1-22-12-15(11-21-22)13-24-7-3-4-18(24)5-8-23(9-6-18)16-10-17(25-2)20-14-19-16/h10-12,14H,3-9,13H2,1-2H3
InChIKeyLXPYBZMQHMQOFC-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.85
Rot. Bonds4

About 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane

8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane (PubChem CID 97396996) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
PubChem CID97396996
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCOc1cc(N2CCC3(CCCN3Cc3cnn(C)c3)CC2)ncn1
InChIInChI=1S/C18H26N6O/c1-22-12-15(11-21-22)13-24-7-3-4-18(24)5-8-23(9-6-18)16-10-17(25-2)20-14-19-16/h10-12,14H,3-9,13H2,1-2H3
InChIKeyLXPYBZMQHMQOFC-UHFFFAOYSA-N
XLogP1.85
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane 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 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane (CID 97396996) is 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane is COc1cc(N2CCC3(CCCN3Cc3cnn(C)c3)CC2)ncn1.
What is the InChIKey of 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is LXPYBZMQHMQOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-22-12-15(11-21-22)13-24-7-3-4-18(24)5-8-23(9-6-18)16-10-17(25-2)20-14-19-16/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane has a molecular weight of 342.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97396996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).