(4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

C22H27FN4O2 — CID 95191462

IUPAC(4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOCc1ncc(CN2CCC[C@@]3(CCN(C(=O)c4ccc(F)cc4)C3)C2)cn1
InChIInChI=1S/C22H27FN4O2/c1-29-14-20-24-11-17(12-25-20)13-26-9-2-7-22(15-26)8-10-27(16-22)21(28)18-3-5-19(23)6-4-18/h3-6,11-12H,2,7-10,13-16H2,1H3/t22-/m1/s1
InChIKeyBOMHVNNYOUXMIG-JOCHJYFZSA-N
MW398.48 g/mol
LogP2.89
Rot. Bonds5

About (4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

(4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 95191462) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is (4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID95191462
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name(4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOCc1ncc(CN2CCC[C@@]3(CCN(C(=O)c4ccc(F)cc4)C3)C2)cn1
InChIInChI=1S/C22H27FN4O2/c1-29-14-20-24-11-17(12-25-20)13-26-9-2-7-22(15-26)8-10-27(16-22)21(28)18-3-5-19(23)6-4-18/h3-6,11-12H,2,7-10,13-16H2,1H3/t22-/m1/s1
InChIKeyBOMHVNNYOUXMIG-JOCHJYFZSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 45171495
1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone
CID 56702894
[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131661981
(2-ethyl-5-methylpyrazol-3-yl)-[(5S)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 25372862
(2-ethyl-5-methylpyrazol-3-yl)-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45212420
5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
CID 166254868
[(5R)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone
CID 42415530
methyl 4-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]benzoate
CID 25452913
[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56702363
2-(azepan-1-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 45182786
[(5S)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 42095149
pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649206

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 95191462) is (4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is COCc1ncc(CN2CCC[C@@]3(CCN(C(=O)c4ccc(F)cc4)C3)C2)cn1.
What is the InChIKey of (4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is BOMHVNNYOUXMIG-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-29-14-20-24-11-17(12-25-20)13-26-9-2-7-22(15-26)8-10-27(16-22)21(28)18-3-5-19(23)6-4-18/h3-6,11-12H,2,7-10,13-16H2,1H3/t22-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
(4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 398.48 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 95191462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).