7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C18H21N5O2 — CID 118740767

IUPAC7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOc1cc(N2CCC3(CCN(Cc4cccnc4)C3=O)C2)ncn1
InChIInChI=1S/C18H21N5O2/c1-25-16-9-15(20-13-21-16)23-8-5-18(12-23)4-7-22(17(18)24)11-14-3-2-6-19-10-14/h2-3,6,9-10,13H,4-5,7-8,11-12H2,1H3
InChIKeyMCJATCHZDVKRLW-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.51
Rot. Bonds4

About 7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 118740767) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID118740767
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOc1cc(N2CCC3(CCN(Cc4cccnc4)C3=O)C2)ncn1
InChIInChI=1S/C18H21N5O2/c1-25-16-9-15(20-13-21-16)23-8-5-18(12-23)4-7-22(17(18)24)11-14-3-2-6-19-10-14/h2-3,6,9-10,13H,4-5,7-8,11-12H2,1H3
InChIKeyMCJATCHZDVKRLW-UHFFFAOYSA-N
XLogP1.51
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

1-(4-Cyclopropylpyridin-3-yl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one
CID 70982437
1-{3-[6-(4-Methoxy-pyridin-2-ylamino)-2-(2-methyl-pyrrolidin-1-yl)-pyrimidin-4-yl]-pyrrolidin-1-yl}-ethanone
CID 117685494
[4-(4-Ethoxypyrimidin-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 53579352
1-[4-(4-Ethoxypyrimidin-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 53588493
(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 97423351
[2-(6-Methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97449621
8-(6-Methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449864
[(3aR,6aS)-2-(6-methoxypyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-3-ylmethanone
CID 97457864
(5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471755
2-(6-Methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 118740848
8-(6-Methoxypyrimidin-4-yl)-1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118740881
[2-(6-Methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 118742924

Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 118740767) is 7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is COc1cc(N2CCC3(CCN(Cc4cccnc4)C3=O)C2)ncn1.
What is the InChIKey of 7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is MCJATCHZDVKRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-25-16-9-15(20-13-21-16)23-8-5-18(12-23)4-7-22(17(18)24)11-14-3-2-6-19-10-14/h2-3,6,9-10,13H,4-5,7-8,11-12H2,1H3.
What are the key properties of 7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 339.40 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 118740767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).