(1'R,4R)-6-[[4-(5-chloro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde

C32H36ClNO4 — CID 89082537

About (1'R,4R)-6-[[4-(5-chloro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde

(1'R,4R)-6-[[4-(5-chloro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde (PubChem CID 89082537) has the molecular formula C32H36ClNO4 and a molecular weight of 534.10 g/mol. Its IUPAC name is (1'R,4R)-6-[[4-(5-chloro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde.

Molecular Properties

• Compound Name: (1'R,4R)-6-[[4-(5-chloro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde
• PubChem CID: 89082537
• Molecular Formula: C32H36ClNO4
• Molecular Weight: 534.10 g/mol
• Exact Mass: 533.23
• IUPAC Name: (1'R,4R)-6-[[4-(5-chloro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde
• SMILES: COc1cc(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)C[C@H]3C=O)cc2[C@@H](OC)C(C)(C)C)c(Cl)cn1
• InChI: InChI=1S/C32H36ClNO4/c1-31(2,3)30(37-5)26-13-20(8-11-24(26)25-15-29(36-4)34-17-28(25)33)19-38-23-10-9-21-7-6-12-32(27(21)14-23)16-22(32)18-35/h8-11,13-15,17-18,22,30H,6-7,12,16,19H2,1-5H3/t22-,30+,32+/m0/s1
• InChIKey: RQBJUELTUVDRIF-LDWGGMMISA-N
• XLogP: 7.52
• TPSA: 57.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.10
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1'R,4R)-6-[[4-(5-chloro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde?

The IUPAC name of (1'R,4R)-6-[[4-(5-chloro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde (CID 89082537) is (1'R,4R)-6-[[4-(5-chloro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde.

What is the SMILES notation for (1'R,4R)-6-[[4-(5-chloro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde?

The canonical SMILES for (1'R,4R)-6-[[4-(5-chloro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde is COc1cc(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)C[C@H]3C=O)cc2[C@@H](OC)C(C)(C)C)c(Cl)cn1.

What is the InChIKey of (1'R,4R)-6-[[4-(5-chloro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde?

The InChIKey is RQBJUELTUVDRIF-LDWGGMMISA-N. The full InChI is InChI=1S/C32H36ClNO4/c1-31(2,3)30(37-5)26-13-20(8-11-24(26)25-15-29(36-4)34-17-28(25)33)19-38-23-10-9-21-7-6-12-32(27(21)14-23)16-22(32)18-35/h8-11,13-15,17-18,22,30H,6-7,12,16,19H2,1-5H3/t22-,30+,32+/m0/s1.

What are the key properties of (1'R,4R)-6-[[4-(5-chloro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde?

(1'R,4R)-6-[[4-(5-chloro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde has a molecular weight of 534.10 g/mol, XLogP of 7.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1'R,4R)-6-[[4-(5-chloro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde is sourced from PubChem (CID 89082537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).