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

C20H23Cl2N3O2 — CID 118293827

IUPAC(2R,5S)-2-[4-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
SMILESCOc1ccc(Cl)c(-c2ccnc([C@H]3CC[C@@]4(CCN(C)C4=O)N3)c2)c1.Cl
InChIInChI=1S/C20H22ClN3O2.ClH/c1-24-10-8-20(19(24)25)7-5-17(23-20)18-11-13(6-9-22-18)15-12-14(26-2)3-4-16(15)21;/h3-4,6,9,11-12,17,23H,5,7-8,10H2,1-2H3;1H/t17-,20+;/m1./s1
InChIKeyMYUOOTHOUXFVLR-XLCHORMMSA-N
MW408.33 g/mol
LogP3.86
Rot. Bonds3

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

(2R,5S)-2-[4-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride (PubChem CID 118293827) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is (2R,5S)-2-[4-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride.

Molecular Properties

Compound Name(2R,5S)-2-[4-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
PubChem CID118293827
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name(2R,5S)-2-[4-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
SMILESCOc1ccc(Cl)c(-c2ccnc([C@H]3CC[C@@]4(CCN(C)C4=O)N3)c2)c1.Cl
InChIInChI=1S/C20H22ClN3O2.ClH/c1-24-10-8-20(19(24)25)7-5-17(23-20)18-11-13(6-9-22-18)15-12-14(26-2)3-4-16(15)21;/h3-4,6,9,11-12,17,23H,5,7-8,10H2,1-2H3;1H/t17-,20+;/m1./s1
InChIKeyMYUOOTHOUXFVLR-XLCHORMMSA-N
XLogP3.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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,5S)-2-[4-(5-cyclopropyloxy-2-fluorophenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118293899
7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 78137015
(2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293879
(2R,5R)-7-methyl-2-[4-(1-methylindol-4-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 71621212
7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 123435041
(2R,5S)-2-[4-[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293886
(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-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 71586633
(2R,5S)-9-methyl-2-[4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride
CID 71621060
(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-[5-methoxy-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 71621053

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-[4-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The IUPAC name of (2R,5S)-2-[4-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride (CID 118293827) is (2R,5S)-2-[4-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride.
What is the SMILES notation for (2R,5S)-2-[4-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The canonical SMILES for (2R,5S)-2-[4-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride is COc1ccc(Cl)c(-c2ccnc([C@H]3CC[C@@]4(CCN(C)C4=O)N3)c2)c1.Cl.
What is the InChIKey of (2R,5S)-2-[4-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The InChIKey is MYUOOTHOUXFVLR-XLCHORMMSA-N. The full InChI is InChI=1S/C20H22ClN3O2.ClH/c1-24-10-8-20(19(24)25)7-5-17(23-20)18-11-13(6-9-22-18)15-12-14(26-2)3-4-16(15)21;/h3-4,6,9,11-12,17,23H,5,7-8,10H2,1-2H3;1H/t17-,20+;/m1./s1.
What are the key properties of (2R,5S)-2-[4-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
(2R,5S)-2-[4-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride has a molecular weight of 408.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-[4-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride is sourced from PubChem (CID 118293827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).