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

C22H31N3O2 — CID 25060021

IUPAC6-methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESCOC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1
InChIInChI=1S/C22H31N3O2/c1-17(2)9-12-24-13-10-22(11-14-24)19-16-23-25(18-7-5-4-6-8-18)20(19)15-21(26-3)27-22/h4-8,16-17,21H,9-15H2,1-3H3
InChIKeyXHRYSFFNMRUMRJ-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.75
Rot. Bonds5

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

6-methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (PubChem CID 25060021) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 6-methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].

Molecular Properties

Compound Name6-methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
PubChem CID25060021
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name6-methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESCOC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1
InChIInChI=1S/C22H31N3O2/c1-17(2)9-12-24-13-10-22(11-14-24)19-16-23-25(18-7-5-4-6-8-18)20(19)15-21(26-3)27-22/h4-8,16-17,21H,9-15H2,1-3H3
InChIKeyXHRYSFFNMRUMRJ-UHFFFAOYSA-N
XLogP3.75
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-1'-(3-methylbutyl)-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

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The IUPAC name of 6-methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (CID 25060021) is 6-methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].
What is the SMILES notation for 6-methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The canonical SMILES for 6-methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1.
What is the InChIKey of 6-methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The InChIKey is XHRYSFFNMRUMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-17(2)9-12-24-13-10-22(11-14-24)19-16-23-25(18-7-5-4-6-8-18)20(19)15-21(26-3)27-22/h4-8,16-17,21H,9-15H2,1-3H3.
What are the key properties of 6-methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
6-methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] has a molecular weight of 369.51 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is sourced from PubChem (CID 25060021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).