1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone

C18H20N4O2 — CID 72934930

IUPAC1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2ccncc2)nc1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C18H20N4O2/c23-17(22-9-5-18(6-10-22)4-1-11-24-18)15-12-20-16(21-13-15)14-2-7-19-8-3-14/h2-3,7-8,12-13H,1,4-6,9-11H2
InChIKeyMIZLUEPBHUMFAB-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.32
Rot. Bonds2

About 1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone

1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone (PubChem CID 72934930) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone
PubChem CID72934930
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2ccncc2)nc1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C18H20N4O2/c23-17(22-9-5-18(6-10-22)4-1-11-24-18)15-12-20-16(21-13-15)14-2-7-19-8-3-14/h2-3,7-8,12-13H,1,4-6,9-11H2
InChIKeyMIZLUEPBHUMFAB-UHFFFAOYSA-N
XLogP2.32
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone
CID 71968472
(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72929703
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone
CID 97193617
(1-ethylpyrazol-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone
CID 74236184
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 126442472
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 70752019
1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 134177590
(6S)-2-ethyl-8-(2-pyridin-4-ylpyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95895738
(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 56873874
(6-methyl-2-pyridinyl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 56880944
1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone
CID 131932995

Frequently Asked Questions

What is the IUPAC name of 1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The IUPAC name of 1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone (CID 72934930) is 1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for 1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The canonical SMILES for 1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone is O=C(c1cnc(-c2ccncc2)nc1)N1CCC2(CCCO2)CC1.
What is the InChIKey of 1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The InChIKey is MIZLUEPBHUMFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17(22-9-5-18(6-10-22)4-1-11-24-18)15-12-20-16(21-13-15)14-2-7-19-8-3-14/h2-3,7-8,12-13H,1,4-6,9-11H2.
What are the key properties of 1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone has a molecular weight of 324.38 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 72934930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).