8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one

C32H37N5O2 — CID 170270202

IUPAC8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one
SMILESCc1cc(CN2CCN(C)CC23CC3)cc2c(=O)c(-c3cccc(C4(c5nncn5C)CC(C)C4)c3)coc12
InChIInChI=1S/C32H37N5O2/c1-21-15-32(16-21,30-34-33-20-36(30)4)25-7-5-6-24(14-25)27-18-39-29-22(2)12-23(13-26(29)28(27)38)17-37-11-10-35(3)19-31(37)8-9-31/h5-7,12-14,18,20-21H,8-11,15-17,19H2,1-4H3
InChIKeyCWFPUYJGCSXNNL-UHFFFAOYSA-N
MW523.68 g/mol
LogP4.89
Rot. Bonds5

About 8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one

8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one (PubChem CID 170270202) has the molecular formula C32H37N5O2 and a molecular weight of 523.68 g/mol. Its IUPAC name is 8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one.

Molecular Properties

Compound Name8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one
PubChem CID170270202
Molecular FormulaC32H37N5O2
Molecular Weight523.68 g/mol
Exact Mass523.29
IUPAC Name8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one
SMILESCc1cc(CN2CCN(C)CC23CC3)cc2c(=O)c(-c3cccc(C4(c5nncn5C)CC(C)C4)c3)coc12
InChIInChI=1S/C32H37N5O2/c1-21-15-32(16-21,30-34-33-20-36(30)4)25-7-5-6-24(14-25)27-18-39-29-22(2)12-23(13-26(29)28(27)38)17-37-11-10-35(3)19-31(37)8-9-31/h5-7,12-14,18,20-21H,8-11,15-17,19H2,1-4H3
InChIKeyCWFPUYJGCSXNNL-UHFFFAOYSA-N
XLogP4.89
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.68
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one 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 8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one?
The IUPAC name of 8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one (CID 170270202) is 8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one.
What is the SMILES notation for 8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one?
The canonical SMILES for 8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one is Cc1cc(CN2CCN(C)CC23CC3)cc2c(=O)c(-c3cccc(C4(c5nncn5C)CC(C)C4)c3)coc12.
What is the InChIKey of 8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one?
The InChIKey is CWFPUYJGCSXNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O2/c1-21-15-32(16-21,30-34-33-20-36(30)4)25-7-5-6-24(14-25)27-18-39-29-22(2)12-23(13-26(29)28(27)38)17-37-11-10-35(3)19-31(37)8-9-31/h5-7,12-14,18,20-21H,8-11,15-17,19H2,1-4H3.
What are the key properties of 8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one?
8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one has a molecular weight of 523.68 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one is sourced from PubChem (CID 170270202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).