9-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one

C18H21N5O2 — CID 118744751

IUPAC9-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESCOc1cc(N2CCCC3(CCN(c4cccnc4)C3=O)C2)ncn1
InChIInChI=1S/C18H21N5O2/c1-25-16-10-15(20-13-21-16)22-8-3-5-18(12-22)6-9-23(17(18)24)14-4-2-7-19-11-14/h2,4,7,10-11,13H,3,5-6,8-9,12H2,1H3
InChIKeyJBOOKUSYACFGFQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.90
Rot. Bonds3

About 9-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one

9-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118744751) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 9-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118744751
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name9-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESCOc1cc(N2CCCC3(CCN(c4cccnc4)C3=O)C2)ncn1
InChIInChI=1S/C18H21N5O2/c1-25-16-10-15(20-13-21-16)22-8-3-5-18(12-22)6-9-23(17(18)24)14-4-2-7-19-11-14/h2,4,7,10-11,13H,3,5-6,8-9,12H2,1H3
InChIKeyJBOOKUSYACFGFQ-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

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Frequently Asked Questions

What is the IUPAC name of 9-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one (CID 118744751) is 9-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one is COc1cc(N2CCCC3(CCN(c4cccnc4)C3=O)C2)ncn1.
What is the InChIKey of 9-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is JBOOKUSYACFGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-25-16-10-15(20-13-21-16)22-8-3-5-18(12-22)6-9-23(17(18)24)14-4-2-7-19-11-14/h2,4,7,10-11,13H,3,5-6,8-9,12H2,1H3.
What are the key properties of 9-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
9-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-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 9-(6-methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118744751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).