2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone

C20H23FN4O — CID 131653455

IUPAC2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC2(CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C20H23FN4O/c21-17-5-1-4-16(12-17)13-18(26)24-11-7-20(14-24)6-2-10-25(15-20)19-22-8-3-9-23-19/h1,3-5,8-9,12H,2,6-7,10-11,13-15H2
InChIKeyWHXDEKRCBVIGQL-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.68
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone

2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone (PubChem CID 131653455) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone
PubChem CID131653455
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC2(CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C20H23FN4O/c21-17-5-1-4-16(12-17)13-18(26)24-11-7-20(14-24)6-2-10-25(15-20)19-22-8-3-9-23-19/h1,3-5,8-9,12H,2,6-7,10-11,13-15H2
InChIKeyWHXDEKRCBVIGQL-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 98776766
(3S)-1-[2-(3-fluorophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485444
(3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 97385423
2-(dimethylamino)-1-[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 134080137
morpholin-4-yl-[(5S)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97450246
2-(3-fluorophenyl)-1-(3-hydroxy-3-phenylpyrrolidin-1-yl)ethanone
CID 91777042
pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234054
[(1S,2R)-2-fluorocyclopropyl]-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 131690615
2-(3-fluorophenyl)-1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110203850
2-(3-methoxyphenyl)-1-[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 97483457
2-(3-fluorophenyl)-1-(4-isoquinolin-1-ylpiperazin-1-yl)ethanone
CID 110711471
2-(pyridin-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171697210

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone (CID 131653455) is 2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone is O=C(Cc1cccc(F)c1)N1CCC2(CCCN(c3ncccn3)C2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone?
The InChIKey is WHXDEKRCBVIGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c21-17-5-1-4-16(12-17)13-18(26)24-11-7-20(14-24)6-2-10-25(15-20)19-22-8-3-9-23-19/h1,3-5,8-9,12H,2,6-7,10-11,13-15H2.
What are the key properties of 2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone?
2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone has a molecular weight of 354.43 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone is sourced from PubChem (CID 131653455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).