8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one

C18H22N6O2 — CID 131688528

IUPAC8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1ccc(CC(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)n1
InChIInChI=1S/C18H22N6O2/c1-22-6-2-14(21-22)10-16(25)23-7-3-18(4-8-23)5-9-24(17(18)26)15-11-19-13-20-12-15/h2,6,11-13H,3-5,7-10H2,1H3
InChIKeyHHDVCHYQQUMUHP-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.80
Rot. Bonds3

About 8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one

8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 131688528) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID131688528
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1ccc(CC(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)n1
InChIInChI=1S/C18H22N6O2/c1-22-6-2-14(21-22)10-16(25)23-7-3-18(4-8-23)5-9-24(17(18)26)15-11-19-13-20-12-15/h2,6,11-13H,3-5,7-10H2,1H3
InChIKeyHHDVCHYQQUMUHP-UHFFFAOYSA-N
XLogP0.80
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688476
2-(1-methylpyrazol-3-yl)-8-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 131688355
8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449899
2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 126752802
2-pyridin-3-yl-7-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 134078370
8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131686788
2-methyl-7-[2-(1-methylpyrazol-3-yl)acetyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131679626
8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449880
1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone
CID 131687388
8-[2-(1-hydroxycyclobutyl)acetyl]-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131690170
8-[(4-methoxyphenyl)methyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449888
8-[(3,5-dimethylphenyl)methyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155827727

Frequently Asked Questions

What is the IUPAC name of 8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one (CID 131688528) is 8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one is Cn1ccc(CC(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)n1.
What is the InChIKey of 8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is HHDVCHYQQUMUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-22-6-2-14(21-22)10-16(25)23-7-3-18(4-8-23)5-9-24(17(18)26)15-11-19-13-20-12-15/h2,6,11-13H,3-5,7-10H2,1H3.
What are the key properties of 8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 354.41 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131688528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).