8-(6-methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

C19H23N5O2 — CID 118740881

IUPAC8-(6-methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cc(N2CCC3(CC2)C(c2ccncc2)CC(=O)N3C)ncn1
InChIInChI=1S/C19H23N5O2/c1-23-18(25)11-15(14-3-7-20-8-4-14)19(23)5-9-24(10-6-19)16-12-17(26-2)22-13-21-16/h3-4,7-8,12-13,15H,5-6,9-11H2,1-2H3
InChIKeyWZJRSJKPZJWVDJ-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.87
Rot. Bonds3

About 8-(6-methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

8-(6-methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118740881) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 8-(6-methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(6-methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118740881
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name8-(6-methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cc(N2CCC3(CC2)C(c2ccncc2)CC(=O)N3C)ncn1
InChIInChI=1S/C19H23N5O2/c1-23-18(25)11-15(14-3-7-20-8-4-14)19(23)5-9-24(10-6-19)16-12-17(26-2)22-13-21-16/h3-4,7-8,12-13,15H,5-6,9-11H2,1-2H3
InChIKeyWZJRSJKPZJWVDJ-UHFFFAOYSA-N
XLogP1.87
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(6-methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (CID 118740881) is 8-(6-methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(6-methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(6-methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is COc1cc(N2CCC3(CC2)C(c2ccncc2)CC(=O)N3C)ncn1.
What is the InChIKey of 8-(6-methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WZJRSJKPZJWVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23-18(25)11-15(14-3-7-20-8-4-14)19(23)5-9-24(10-6-19)16-12-17(26-2)22-13-21-16/h3-4,7-8,12-13,15H,5-6,9-11H2,1-2H3.
What are the key properties of 8-(6-methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
8-(6-methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 353.43 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118740881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).