8-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one

C18H21N5O2 — CID 97449864

IUPAC8-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1cc(N2CCC3(CC2)CCN(c2cccnc2)C3=O)ncn1
InChIInChI=1S/C18H21N5O2/c1-25-16-11-15(20-13-21-16)22-8-4-18(5-9-22)6-10-23(17(18)24)14-3-2-7-19-12-14/h2-3,7,11-13H,4-6,8-10H2,1H3
InChIKeyDMNVOWVZNOHERK-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.90
Rot. Bonds3

About 8-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one

8-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449864) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 8-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449864
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name8-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1cc(N2CCC3(CC2)CCN(c2cccnc2)C3=O)ncn1
InChIInChI=1S/C18H21N5O2/c1-25-16-11-15(20-13-21-16)22-8-4-18(5-9-22)6-10-23(17(18)24)14-3-2-7-19-12-14/h2-3,7,11-13H,4-6,8-10H2,1H3
InChIKeyDMNVOWVZNOHERK-UHFFFAOYSA-N
XLogP1.90
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one 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)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one (CID 97449864) is 8-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one is COc1cc(N2CCC3(CC2)CCN(c2cccnc2)C3=O)ncn1.
What is the InChIKey of 8-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is DMNVOWVZNOHERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-25-16-11-15(20-13-21-16)22-8-4-18(5-9-22)6-10-23(17(18)24)14-3-2-7-19-12-14/h2-3,7,11-13H,4-6,8-10H2,1H3.
What are the key properties of 8-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one?
8-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 339.40 g/mol, XLogP of 1.90, 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)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).