8-(5-ethylpyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one

C18H24N6O — CID 97385473

IUPAC8-(5-ethylpyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCCc1cnc(N2CCC3(CC2)CCN(c2cnn(C)c2)C3=O)nc1
InChIInChI=1S/C18H24N6O/c1-3-14-10-19-17(20-11-14)23-7-4-18(5-8-23)6-9-24(16(18)25)15-12-21-22(2)13-15/h10-13H,3-9H2,1-2H3
InChIKeyNGOCDSXOPXPWQG-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.80
Rot. Bonds3

About 8-(5-ethylpyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one

8-(5-ethylpyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97385473) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 8-(5-ethylpyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(5-ethylpyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97385473
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name8-(5-ethylpyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCCc1cnc(N2CCC3(CC2)CCN(c2cnn(C)c2)C3=O)nc1
InChIInChI=1S/C18H24N6O/c1-3-14-10-19-17(20-11-14)23-7-4-18(5-8-23)6-9-24(16(18)25)15-12-21-22(2)13-15/h10-13H,3-9H2,1-2H3
InChIKeyNGOCDSXOPXPWQG-UHFFFAOYSA-N
XLogP1.80
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(5-ethylpyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(5-ethylpyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 97385473) is 8-(5-ethylpyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(5-ethylpyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(5-ethylpyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one is CCc1cnc(N2CCC3(CC2)CCN(c2cnn(C)c2)C3=O)nc1.
What is the InChIKey of 8-(5-ethylpyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NGOCDSXOPXPWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-3-14-10-19-17(20-11-14)23-7-4-18(5-8-23)6-9-24(16(18)25)15-12-21-22(2)13-15/h10-13H,3-9H2,1-2H3.
What are the key properties of 8-(5-ethylpyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
8-(5-ethylpyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 340.43 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-ethylpyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97385473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).