methyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate

C22H24ClN3O3 — CID 58324629

IUPACmethyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(N2CCC[C@]3(CCN(c4ccccc4Cl)C3=O)C2)nc1
InChIInChI=1S/C22H24ClN3O3/c1-29-20(27)13-16-7-8-19(24-14-16)25-11-4-9-22(15-25)10-12-26(21(22)28)18-6-3-2-5-17(18)23/h2-3,5-8,14H,4,9-13,15H2,1H3/t22-/m0/s1
InChIKeyQHJGJTKPYSJFPM-QFIPXVFZSA-N
MW413.91 g/mol
LogP3.47
Rot. Bonds4

About methyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate

methyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate (PubChem CID 58324629) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is methyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate
PubChem CID58324629
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Namemethyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(N2CCC[C@]3(CCN(c4ccccc4Cl)C3=O)C2)nc1
InChIInChI=1S/C22H24ClN3O3/c1-29-20(27)13-16-7-8-19(24-14-16)25-11-4-9-22(15-25)10-12-26(21(22)28)18-6-3-2-5-17(18)23/h2-3,5-8,14H,4,9-13,15H2,1H3/t22-/m0/s1
InChIKeyQHJGJTKPYSJFPM-QFIPXVFZSA-N
XLogP3.47
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate with MolForge

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Related Compounds

1-(2-Chlorophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one
CID 14739535
2-(3-chloropyridin-2-yl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72901386
Ethyl 2-[6-[[5-carbamoyl-4-(2-chloroanilino)-2-pyridinyl]amino]-3-pyridinyl]acetate
CID 172446928
Methyl 2-[6-[[5-carbamoyl-4-(2-chloroanilino)-2-pyridinyl]amino]-3-pyridinyl]acetate
CID 172452105
Propan-2-yl 2-[6-[[5-carbamoyl-4-(2-chloroanilino)-2-pyridinyl]amino]-3-pyridinyl]acetate
CID 172457566
2-(5-chloro-2-pyridinyl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72880447
(5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 95713838
2-(2-Chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
CID 11661494
2-(2-Chlorophenyl)-7-[5-(trifluoromethyl)pyridin-2-yl]-2,7-diazaspiro[4.5]decan-1-one
CID 11711258
(5S)-2-(2-chlorophenyl)-9-[3-(trifluoromethyl)pyridin-2-yl]-2,9-diazaspiro[4.5]decan-1-one
CID 57970953
(5R)-2-(2-chlorophenyl)-9-[5-(trifluoromethyl)pyridin-2-yl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653376
(5R)-2-(2-chlorophenyl)-9-[3-(trifluoromethyl)pyridin-2-yl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653466

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate (CID 58324629) is methyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate is COC(=O)Cc1ccc(N2CCC[C@]3(CCN(c4ccccc4Cl)C3=O)C2)nc1.
What is the InChIKey of methyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate?
The InChIKey is QHJGJTKPYSJFPM-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-29-20(27)13-16-7-8-19(24-14-16)25-11-4-9-22(15-25)10-12-26(21(22)28)18-6-3-2-5-17(18)23/h2-3,5-8,14H,4,9-13,15H2,1H3/t22-/m0/s1.
What are the key properties of methyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate?
methyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate has a molecular weight of 413.91 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[(5S)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]acetate is sourced from PubChem (CID 58324629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).