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

C18H21N5O2 — CID 134072418

IUPAC8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cc(N2CCC3(CC2)CC(c2ccncc2)C(=O)N3)ncn1
InChIInChI=1S/C18H21N5O2/c1-25-16-10-15(20-12-21-16)23-8-4-18(5-9-23)11-14(17(24)22-18)13-2-6-19-7-3-13/h2-3,6-7,10,12,14H,4-5,8-9,11H2,1H3,(H,22,24)
InChIKeyOGNKANUMDRMCBN-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.52
Rot. Bonds3

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

8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 134072418) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID134072418
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cc(N2CCC3(CC2)CC(c2ccncc2)C(=O)N3)ncn1
InChIInChI=1S/C18H21N5O2/c1-25-16-10-15(20-12-21-16)23-8-4-18(5-9-23)11-14(17(24)22-18)13-2-6-19-7-3-13/h2-3,6-7,10,12,14H,4-5,8-9,11H2,1H3,(H,22,24)
InChIKeyOGNKANUMDRMCBN-UHFFFAOYSA-N
XLogP1.52
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469534
(3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469612
3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 118742153
methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate
CID 126434233
8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072421
8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131651628
(3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 124914058
(3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469532
8-(furan-3-ylmethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118746825
2-methoxy-7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonane
CID 97451275
8-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155854173
9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 134071339

Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (CID 134072418) is 8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is COc1cc(N2CCC3(CC2)CC(c2ccncc2)C(=O)N3)ncn1.
What is the InChIKey of 8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OGNKANUMDRMCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-25-16-10-15(20-12-21-16)23-8-4-18(5-9-23)11-14(17(24)22-18)13-2-6-19-7-3-13/h2-3,6-7,10,12,14H,4-5,8-9,11H2,1H3,(H,22,24).
What are the key properties of 8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134072418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).