1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

C24H26FN3O2 — CID 25060290

IUPAC1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESCOC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C24H26FN3O2/c1-29-23-15-22-21(16-26-28(22)20-5-3-2-4-6-20)24(30-23)11-13-27(14-12-24)17-18-7-9-19(25)10-8-18/h2-10,16,23H,11-15,17H2,1H3
InChIKeySRCFYHFLMLAPBI-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.05
Rot. Bonds4

About 1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (PubChem CID 25060290) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].

Molecular Properties

Compound Name1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
PubChem CID25060290
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESCOC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C24H26FN3O2/c1-29-23-15-22-21(16-26-28(22)20-5-3-2-4-6-20)24(30-23)11-13-27(14-12-24)17-18-7-9-19(25)10-8-18/h2-10,16,23H,11-15,17H2,1H3
InChIKeySRCFYHFLMLAPBI-UHFFFAOYSA-N
XLogP4.05
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]
CID 24939244
1'-(Cyclohexylmethyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25015387
6-Methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060020
6-Methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060021
1'-(Cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060024
1'-(3-Methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060809
1-Phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060811
1-Methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25061063
(6R)-1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]
CID 49798690
(6R)-6-methoxy-1-phenyl-1'-propan-2-ylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 49798699
1'-(3-Methylbut-3-enyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 54758206
1'-Benzyl-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25059766

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The IUPAC name of 1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (CID 25060290) is 1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].
What is the SMILES notation for 1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The canonical SMILES for 1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is COC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)O1.
What is the InChIKey of 1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The InChIKey is SRCFYHFLMLAPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-29-23-15-22-21(16-26-28(22)20-5-3-2-4-6-20)24(30-23)11-13-27(14-12-24)17-18-7-9-19(25)10-8-18/h2-10,16,23H,11-15,17H2,1H3.
What are the key properties of 1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] has a molecular weight of 407.49 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is sourced from PubChem (CID 25060290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).