6-methoxy-1-phenyl-1'-(4-phenylbutyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

C27H33N3O2 — CID 25060287

IUPAC6-methoxy-1-phenyl-1'-(4-phenylbutyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESCOC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCCCc3ccccc3)CC2)O1
InChIInChI=1S/C27H33N3O2/c1-31-26-20-25-24(21-28-30(25)23-13-6-3-7-14-23)27(32-26)15-18-29(19-16-27)17-9-8-12-22-10-4-2-5-11-22/h2-7,10-11,13-14,21,26H,8-9,12,15-20H2,1H3
InChIKeySANAMICGSPOVSM-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.73
Rot. Bonds7

About 6-methoxy-1-phenyl-1'-(4-phenylbutyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

6-methoxy-1-phenyl-1'-(4-phenylbutyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (PubChem CID 25060287) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 6-methoxy-1-phenyl-1'-(4-phenylbutyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].

Molecular Properties

Compound Name6-methoxy-1-phenyl-1'-(4-phenylbutyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
PubChem CID25060287
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name6-methoxy-1-phenyl-1'-(4-phenylbutyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESCOC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCCCc3ccccc3)CC2)O1
InChIInChI=1S/C27H33N3O2/c1-31-26-20-25-24(21-28-30(25)23-13-6-3-7-14-23)27(32-26)15-18-29(19-16-27)17-9-8-12-22-10-4-2-5-11-22/h2-7,10-11,13-14,21,26H,8-9,12,15-20H2,1H3
InChIKeySANAMICGSPOVSM-UHFFFAOYSA-N
XLogP4.73
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-phenyl-1'-(4-phenylbutyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The IUPAC name of 6-methoxy-1-phenyl-1'-(4-phenylbutyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (CID 25060287) is 6-methoxy-1-phenyl-1'-(4-phenylbutyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].
What is the SMILES notation for 6-methoxy-1-phenyl-1'-(4-phenylbutyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The canonical SMILES for 6-methoxy-1-phenyl-1'-(4-phenylbutyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCCCc3ccccc3)CC2)O1.
What is the InChIKey of 6-methoxy-1-phenyl-1'-(4-phenylbutyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The InChIKey is SANAMICGSPOVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-31-26-20-25-24(21-28-30(25)23-13-6-3-7-14-23)27(32-26)15-18-29(19-16-27)17-9-8-12-22-10-4-2-5-11-22/h2-7,10-11,13-14,21,26H,8-9,12,15-20H2,1H3.
What are the key properties of 6-methoxy-1-phenyl-1'-(4-phenylbutyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
6-methoxy-1-phenyl-1'-(4-phenylbutyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] has a molecular weight of 431.58 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-phenyl-1'-(4-phenylbutyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is sourced from PubChem (CID 25060287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).