2-[(7S)-3-[2-chloro-3-(2-chlorophenyl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

C27H25Cl2N3O3 — CID 177216471

About 2-[(7S)-3-[2-chloro-3-(2-chlorophenyl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

2-[(7S)-3-[2-chloro-3-(2-chlorophenyl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (PubChem CID 177216471) has the molecular formula C27H25Cl2N3O3 and a molecular weight of 510.42 g/mol. Its IUPAC name is 2-[(7S)-3-[2-chloro-3-(2-chlorophenyl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.

Molecular Properties

• Compound Name: 2-[(7S)-3-[2-chloro-3-(2-chlorophenyl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
• PubChem CID: 177216471
• Molecular Formula: C27H25Cl2N3O3
• Molecular Weight: 510.42 g/mol
• Exact Mass: 509.13
• IUPAC Name: 2-[(7S)-3-[2-chloro-3-(2-chlorophenyl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
• SMILES: COc1nc(-c2cccc(-c3ccccc3Cl)c2Cl)cc2c1[C@@H](N1CC3(CNC(=O)CO3)C1)CC2
• InChI: InChI=1S/C27H25Cl2N3O3/c1-34-26-24-16(9-10-22(24)32-14-27(15-32)13-30-23(33)12-35-27)11-21(31-26)19-7-4-6-18(25(19)29)17-5-2-3-8-20(17)28/h2-8,11,22H,9-10,12-15H2,1H3,(H,30,33)/t22-/m0/s1
• InChIKey: CQKOZGJLALZUJB-QFIPXVFZSA-N
• XLogP: 4.92
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.42
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-3-[2-chloro-3-(2-chlorophenyl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?

The IUPAC name of 2-[(7S)-3-[2-chloro-3-(2-chlorophenyl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (CID 177216471) is 2-[(7S)-3-[2-chloro-3-(2-chlorophenyl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.

What is the SMILES notation for 2-[(7S)-3-[2-chloro-3-(2-chlorophenyl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?

The canonical SMILES for 2-[(7S)-3-[2-chloro-3-(2-chlorophenyl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is COc1nc(-c2cccc(-c3ccccc3Cl)c2Cl)cc2c1[C@@H](N1CC3(CNC(=O)CO3)C1)CC2.

What is the InChIKey of 2-[(7S)-3-[2-chloro-3-(2-chlorophenyl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?

The InChIKey is CQKOZGJLALZUJB-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H25Cl2N3O3/c1-34-26-24-16(9-10-22(24)32-14-27(15-32)13-30-23(33)12-35-27)11-21(31-26)19-7-4-6-18(25(19)29)17-5-2-3-8-20(17)28/h2-8,11,22H,9-10,12-15H2,1H3,(H,30,33)/t22-/m0/s1.

What are the key properties of 2-[(7S)-3-[2-chloro-3-(2-chlorophenyl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?

2-[(7S)-3-[2-chloro-3-(2-chlorophenyl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one has a molecular weight of 510.42 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(7S)-3-[2-chloro-3-(2-chlorophenyl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is sourced from PubChem (CID 177216471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).