8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one

C17H21FN6O — CID 131646598

IUPAC8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2cnn(C)c2)C12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C17H21FN6O/c1-22-11-12(8-21-22)14-7-15(25)23(2)17(14)3-5-24(6-4-17)16-19-9-13(18)10-20-16/h8-11,14H,3-7H2,1-2H3
InChIKeyINKLBBGSZOQUHE-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.33
Rot. Bonds2

About 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one

8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131646598) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131646598
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Name8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2cnn(C)c2)C12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C17H21FN6O/c1-22-11-12(8-21-22)14-7-15(25)23(2)17(14)3-5-24(6-4-17)16-19-9-13(18)10-20-16/h8-11,14H,3-7H2,1-2H3
InChIKeyINKLBBGSZOQUHE-UHFFFAOYSA-N
XLogP1.33
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-1-methyl-4-(1-methylpyrazol-4-yl)-8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469913
1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 118738925
1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118740873
(4R)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391811
(4S)-1-methyl-4-(1-methylpyrazol-4-yl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97384134
(4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97384138
(4R)-1-methyl-4-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97469911
4-(1-methylpyrazol-4-yl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131650251
8-[(4-methoxyphenyl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155842126
8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118744669
1-(2-methoxyethyl)-8-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 134074658
(3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97406702

Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one (CID 131646598) is 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)CC(c2cnn(C)c2)C12CCN(c1ncc(F)cn1)CC2.
What is the InChIKey of 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is INKLBBGSZOQUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O/c1-22-11-12(8-21-22)14-7-15(25)23(2)17(14)3-5-24(6-4-17)16-19-9-13(18)10-20-16/h8-11,14H,3-7H2,1-2H3.
What are the key properties of 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 344.39 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131646598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).