(2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride

C21H26ClN3O2 — CID 118293879

IUPAC(2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
SMILESCCOc1cccc(-c2ccnc([C@H]3CC[C@@]4(CCN(C)C4=O)N3)c2)c1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-3-26-17-6-4-5-15(13-17)16-8-11-22-19(14-16)18-7-9-21(23-18)10-12-24(2)20(21)25;/h4-6,8,11,13-14,18,23H,3,7,9-10,12H2,1-2H3;1H/t18-,21+;/m1./s1
InChIKeyZGOLAGDAFAPHFB-WKOQGQMTSA-N
MW387.91 g/mol
LogP3.59
Rot. Bonds4

About (2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride

(2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride (PubChem CID 118293879) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is (2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride.

Molecular Properties

Compound Name(2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
PubChem CID118293879
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name(2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
SMILESCCOc1cccc(-c2ccnc([C@H]3CC[C@@]4(CCN(C)C4=O)N3)c2)c1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-3-26-17-6-4-5-15(13-17)16-8-11-22-19(14-16)18-7-9-21(23-18)10-12-24(2)20(21)25;/h4-6,8,11,13-14,18,23H,3,7,9-10,12H2,1-2H3;1H/t18-,21+;/m1./s1
InChIKeyZGOLAGDAFAPHFB-WKOQGQMTSA-N
XLogP3.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 78137015
(2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 71621212
(2R,5S)-9-methyl-2-[4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride
CID 71621060
7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 123435041
(2R,5S)-2-[4-(5-cyclopropyloxy-2-fluorophenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118293899
(2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118293927
(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-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118294024
(2R,5R)-7-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 90017031
(2S,5S)-7-methyl-2-[3-(4-methylthiophen-3-yl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 90016770
(2S,5S)-2-[4-(5-ethoxy-2-fluorophenyl)-3-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118293835
(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

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The IUPAC name of (2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride (CID 118293879) is (2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride.
What is the SMILES notation for (2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The canonical SMILES for (2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride is CCOc1cccc(-c2ccnc([C@H]3CC[C@@]4(CCN(C)C4=O)N3)c2)c1.Cl.
What is the InChIKey of (2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The InChIKey is ZGOLAGDAFAPHFB-WKOQGQMTSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-3-26-17-6-4-5-15(13-17)16-8-11-22-19(14-16)18-7-9-21(23-18)10-12-24(2)20(21)25;/h4-6,8,11,13-14,18,23H,3,7,9-10,12H2,1-2H3;1H/t18-,21+;/m1./s1.
What are the key properties of (2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
(2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride is sourced from PubChem (CID 118293879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).