8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane

C18H26N6O — CID 97396974

IUPAC8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCOc1cc(N2CCC3(CCCN3Cc3ccn(C)n3)CC2)ncn1
InChIInChI=1S/C18H26N6O/c1-22-9-4-15(21-22)13-24-8-3-5-18(24)6-10-23(11-7-18)16-12-17(25-2)20-14-19-16/h4,9,12,14H,3,5-8,10-11,13H2,1-2H3
InChIKeyBTDBREBNJIUTRN-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.85
Rot. Bonds4

About 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane

8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane (PubChem CID 97396974) 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-3-yl)methyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
PubChem CID97396974
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCOc1cc(N2CCC3(CCCN3Cc3ccn(C)n3)CC2)ncn1
InChIInChI=1S/C18H26N6O/c1-22-9-4-15(21-22)13-24-8-3-5-18(24)6-10-23(11-7-18)16-12-17(25-2)20-14-19-16/h4,9,12,14H,3,5-8,10-11,13H2,1-2H3
InChIKeyBTDBREBNJIUTRN-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

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane (CID 97396974) is 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane is COc1cc(N2CCC3(CCCN3Cc3ccn(C)n3)CC2)ncn1.
What is the InChIKey of 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is BTDBREBNJIUTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-22-9-4-15(21-22)13-24-8-3-5-18(24)6-10-23(11-7-18)16-12-17(25-2)20-14-19-16/h4,9,12,14H,3,5-8,10-11,13H2,1-2H3.
What are the key properties of 8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
8-(6-methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-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-3-yl)methyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97396974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).