2-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,7-diazaspiro[3.4]octan-6-one

C15H18ClN3O2 — CID 167338377

IUPAC2-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,7-diazaspiro[3.4]octan-6-one
SMILESCOc1nc(Cl)cc2c1[C@@H](N1CC3(CNC(=O)C3)C1)CC2
InChIInChI=1S/C15H18ClN3O2/c1-21-14-13-9(4-11(16)18-14)2-3-10(13)19-7-15(8-19)5-12(20)17-6-15/h4,10H,2-3,5-8H2,1H3,(H,17,20)/t10-/m0/s1
InChIKeyCVARRTAYEMQQER-JTQLQIEISA-N
MW307.78 g/mol
LogP1.55
Rot. Bonds2

About 2-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,7-diazaspiro[3.4]octan-6-one

2-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,7-diazaspiro[3.4]octan-6-one (PubChem CID 167338377) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,7-diazaspiro[3.4]octan-6-one
PubChem CID167338377
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,7-diazaspiro[3.4]octan-6-one
SMILESCOc1nc(Cl)cc2c1[C@@H](N1CC3(CNC(=O)C3)C1)CC2
InChIInChI=1S/C15H18ClN3O2/c1-21-14-13-9(4-11(16)18-14)2-3-10(13)19-7-15(8-19)5-12(20)17-6-15/h4,10H,2-3,5-8H2,1H3,(H,17,20)/t10-/m0/s1
InChIKeyCVARRTAYEMQQER-JTQLQIEISA-N
XLogP1.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,7-diazaspiro[3.4]octan-6-one (CID 167338377) is 2-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,7-diazaspiro[3.4]octan-6-one is COc1nc(Cl)cc2c1[C@@H](N1CC3(CNC(=O)C3)C1)CC2.
What is the InChIKey of 2-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,7-diazaspiro[3.4]octan-6-one?
The InChIKey is CVARRTAYEMQQER-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-21-14-13-9(4-11(16)18-14)2-3-10(13)19-7-15(8-19)5-12(20)17-6-15/h4,10H,2-3,5-8H2,1H3,(H,17,20)/t10-/m0/s1.
What are the key properties of 2-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,7-diazaspiro[3.4]octan-6-one?
2-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,7-diazaspiro[3.4]octan-6-one has a molecular weight of 307.78 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 167338377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).