ethyl 1-(3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)azetidine-3-carboxylate

C15H19ClN2O3 — CID 167286673

IUPACethyl 1-(3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)azetidine-3-carboxylate
SMILESCCOC(=O)C1CN(C2CCc3cc(Cl)nc(OC)c32)C1
InChIInChI=1S/C15H19ClN2O3/c1-3-21-15(19)10-7-18(8-10)11-5-4-9-6-12(16)17-14(20-2)13(9)11/h6,10-11H,3-5,7-8H2,1-2H3
InChIKeyWESRLABUUPTCQU-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.23
Rot. Bonds4

About ethyl 1-(3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)azetidine-3-carboxylate

ethyl 1-(3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)azetidine-3-carboxylate (PubChem CID 167286673) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is ethyl 1-(3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)azetidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)azetidine-3-carboxylate
PubChem CID167286673
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Nameethyl 1-(3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)azetidine-3-carboxylate
SMILESCCOC(=O)C1CN(C2CCc3cc(Cl)nc(OC)c32)C1
InChIInChI=1S/C15H19ClN2O3/c1-3-21-15(19)10-7-18(8-10)11-5-4-9-6-12(16)17-14(20-2)13(9)11/h6,10-11H,3-5,7-8H2,1-2H3
InChIKeyWESRLABUUPTCQU-UHFFFAOYSA-N
XLogP2.23
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol
CID 167338386
ethyl 1-[3-[2-chloro-3-[2-chloro-3-[5-[[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidine-3-carboxylate
CID 170227255
ethyl 1-[(7R)-3-(3-bromo-2-chlorophenyl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]piperidine-4-carboxylate
CID 177227206
ethyl 1-[(7S)-3-[2-chloro-4-fluoro-3-[6-fluoro-2-methyl-3-[(2-methyl-3-oxopyridazine-4-carbonyl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidine-3-carboxylate
CID 167338568
ethyl 1-[3-[2-chloro-3-[3-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonyl)amino]-6-fluoro-2-methylphenyl]-4-fluorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidine-3-carboxylate
CID 167338233
ethyl 1-[(1S)-5-[2-chloro-3-[2-chloro-3-[(1S)-1-(3-ethoxycarbonylazetidin-1-yl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl]-2,3-dihydro-1H-inden-1-yl]azetidine-3-carboxylate
CID 166561802
ethyl 1-[(7R)-3-[2-chloro-4-fluoro-3-[2-methyl-3-[(2-methyl-3-oxopyridazine-4-carbonyl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidine-3-carboxylate
CID 167337969
ethyl 1-[(7S)-3-[2-chloro-3-[2-chloro-3-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]phenyl]-4-fluorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidine-3-carboxylate
CID 167338484
ethyl 1-[(7R)-3-[2-chloro-3-[2-chloro-3-[(1,3-dimethyl-2,4-dioxopyrido[4,3-d]pyrimidin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]piperidine-4-carboxylate
CID 177214395
ethyl 1-[5-[3-[3-[1-(3-acetylazetidin-1-yl)-2,3-dihydro-1H-inden-5-yl]-2-chlorophenyl]-2-chlorophenyl]-2,3-dihydro-1H-inden-1-yl]azetidine-3-carboxylate
CID 170203553
ethyl (1R,5S)-3-[(7S)-3-[2-chloro-3-[3-[(1,3-dimethyl-2,4-dioxopyrido[4,3-d]pyrimidin-5-yl)amino]-2-methylphenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 177214349
ethyl 1-[(7R)-3-[2-chloro-3-[2-chloro-3-[[7-(difluoromethyl)-1,3-dimethyl-2,4-dioxopyrido[4,3-d]pyrimidin-5-yl]amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]piperidine-4-carboxylate
CID 177214434

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)azetidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)azetidine-3-carboxylate (CID 167286673) is ethyl 1-(3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)azetidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)azetidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)azetidine-3-carboxylate is CCOC(=O)C1CN(C2CCc3cc(Cl)nc(OC)c32)C1.
What is the InChIKey of ethyl 1-(3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)azetidine-3-carboxylate?
The InChIKey is WESRLABUUPTCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-3-21-15(19)10-7-18(8-10)11-5-4-9-6-12(16)17-14(20-2)13(9)11/h6,10-11H,3-5,7-8H2,1-2H3.
What are the key properties of ethyl 1-(3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)azetidine-3-carboxylate?
ethyl 1-(3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)azetidine-3-carboxylate has a molecular weight of 310.78 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)azetidine-3-carboxylate is sourced from PubChem (CID 167286673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).