(2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one

C22H26FN3O2 — CID 118300580

IUPAC(2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCOc1ccc(F)c(-c2ccnc([C@@H]3CCC4(CC[C@H](C)NC4=O)N3)c2)c1
InChIInChI=1S/C22H26FN3O2/c1-3-28-16-4-5-18(23)17(13-16)15-8-11-24-20(12-15)19-7-10-22(26-19)9-6-14(2)25-21(22)27/h4-5,8,11-14,19,26H,3,6-7,9-10H2,1-2H3,(H,25,27)/t14-,19-,22?/m0/s1
InChIKeyGUVCWHARXDAGAJ-FDCYIQIVSA-N
MW383.47 g/mol
LogP3.75
Rot. Bonds4

About (2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one

(2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 118300580) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is (2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name(2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID118300580
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name(2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCOc1ccc(F)c(-c2ccnc([C@@H]3CCC4(CC[C@H](C)NC4=O)N3)c2)c1
InChIInChI=1S/C22H26FN3O2/c1-3-28-16-4-5-18(23)17(13-16)15-8-11-24-20(12-15)19-7-10-22(26-19)9-6-14(2)25-21(22)27/h4-5,8,11-14,19,26H,3,6-7,9-10H2,1-2H3,(H,25,27)/t14-,19-,22?/m0/s1
InChIKeyGUVCWHARXDAGAJ-FDCYIQIVSA-N
XLogP3.75
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-2-[4-(5-cyclopropyloxy-2-fluorophenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118293899
(2S,5S)-2-[4-(5-ethoxy-2-fluorophenyl)pyrimidin-2-yl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride
CID 72548576
(2R,5R)-2-[4-(5-ethoxy-2-fluorophenyl)-6-methylpyrimidin-2-yl]-1,9-diazaspiro[4.5]decan-10-one
CID 118048807
(2R,5S)-2-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118294024
(2S,5S)-2-[4-(5-ethoxy-2-fluorophenyl)-5-fluoro-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293811
(2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293879
(2S,5S)-2-[4-(5-ethoxy-2-fluorophenyl)-3-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118293835
(2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one
CID 118293837
(2S,5R)-2-[4-(5-ethoxy-2-fluorophenyl)-6-methylpyrimidin-2-yl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 72548571
(2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 71586633
9-[4-[2-fluoro-5-(2-methylpropoxy)phenyl]-2-pyridinyl]-4-methyl-1,4-diazonan-5-one
CID 123348341
(2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride
CID 118293993

Frequently Asked Questions

What is the IUPAC name of (2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of (2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one (CID 118300580) is (2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for (2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for (2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one is CCOc1ccc(F)c(-c2ccnc([C@@H]3CCC4(CC[C@H](C)NC4=O)N3)c2)c1.
What is the InChIKey of (2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is GUVCWHARXDAGAJ-FDCYIQIVSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-3-28-16-4-5-18(23)17(13-16)15-8-11-24-20(12-15)19-7-10-22(26-19)9-6-14(2)25-21(22)27/h4-5,8,11-14,19,26H,3,6-7,9-10H2,1-2H3,(H,25,27)/t14-,19-,22?/m0/s1.
What are the key properties of (2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one?
(2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 383.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 118300580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).