(5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C19H28FN5O2 — CID 97203090

IUPAC(5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(c3ncc(F)c(N4CCCC4)n3)C2)C1=O
InChIInChI=1S/C19H28FN5O2/c1-27-12-11-24-9-4-5-19(17(24)26)6-10-25(14-19)18-21-13-15(20)16(22-18)23-7-2-3-8-23/h13H,2-12,14H2,1H3/t19-/m1/s1
InChIKeyVRANOLOMCJOEGJ-LJQANCHMSA-N
MW377.46 g/mol
LogP1.68
Rot. Bonds5

About (5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97203090) has the molecular formula C19H28FN5O2 and a molecular weight of 377.46 g/mol. Its IUPAC name is (5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97203090
Molecular FormulaC19H28FN5O2
Molecular Weight377.46 g/mol
Exact Mass377.22
IUPAC Name(5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(c3ncc(F)c(N4CCCC4)n3)C2)C1=O
InChIInChI=1S/C19H28FN5O2/c1-27-12-11-24-9-4-5-19(17(24)26)6-10-25(14-19)18-21-13-15(20)16(22-18)23-7-2-3-8-23/h13H,2-12,14H2,1H3/t19-/m1/s1
InChIKeyVRANOLOMCJOEGJ-LJQANCHMSA-N
XLogP1.68
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(5-Fluoro-2-pyrimidinyl)-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72851568
8-(5-Fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 97385434
2-(Cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449801
8-(5-Fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493741
8-(5-Fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493813
2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide
CID 118738969
[2-(5-Fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739029
2-(Cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 118744475
9-{[2-(Dimethylamino)pyrimidin-5-YL]methyl}-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70765931
4-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,9-dimethyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72876397
5-fluoro-N,N-dimethyl-2-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]pyrimidin-4-amine
CID 72883574
(5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97151443

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97203090) is (5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCC[C@]2(CCN(c3ncc(F)c(N4CCCC4)n3)C2)C1=O.
What is the InChIKey of (5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VRANOLOMCJOEGJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28FN5O2/c1-27-12-11-24-9-4-5-19(17(24)26)6-10-25(14-19)18-21-13-15(20)16(22-18)23-7-2-3-8-23/h13H,2-12,14H2,1H3/t19-/m1/s1.
What are the key properties of (5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 377.46 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97203090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).