1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone

C24H30ClN3O3 — CID 155921738

IUPAC1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone
SMILESCc1nccn1CC(=O)N1CCC2(CC1)COC1c3cccc(Cl)c3OC(C)(C)C1C2
InChIInChI=1S/C24H30ClN3O3/c1-16-26-9-12-28(16)14-20(29)27-10-7-24(8-11-27)13-18-21(30-15-24)17-5-4-6-19(25)22(17)31-23(18,2)3/h4-6,9,12,18,21H,7-8,10-11,13-15H2,1-3H3
InChIKeyBPKUCPNILIMAGP-UHFFFAOYSA-N
MW443.98 g/mol
LogP4.40
Rot. Bonds2

About 1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone

1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone (PubChem CID 155921738) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is 1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone
PubChem CID155921738
Molecular FormulaC24H30ClN3O3
Molecular Weight443.98 g/mol
Exact Mass443.20
IUPAC Name1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone
SMILESCc1nccn1CC(=O)N1CCC2(CC1)COC1c3cccc(Cl)c3OC(C)(C)C1C2
InChIInChI=1S/C24H30ClN3O3/c1-16-26-9-12-28(16)14-20(29)27-10-7-24(8-11-27)13-18-21(30-15-24)17-5-4-6-19(25)22(17)31-23(18,2)3/h4-6,9,12,18,21H,7-8,10-11,13-15H2,1-3H3
InChIKeyBPKUCPNILIMAGP-UHFFFAOYSA-N
XLogP4.40
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone 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

US10807993, Example 2
CID 155921736
US10807993, Example 39
CID 155921762
US10807993, Example 43
CID 155921764
US10807993, Example 16
CID 155921748
US10807993, Example 17
CID 155921749
US10807993, Example 1
CID 139525996
US10807993, Example 38
CID 149052264
US10807993, Example 49
CID 153166870
US10807993, Example 5
CID 155921737
US10807993, Example 7
CID 155921739
US10807993, Example 8
CID 155921740
US10807993, Example 9
CID 155921741

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone?
The IUPAC name of 1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone (CID 155921738) is 1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone is Cc1nccn1CC(=O)N1CCC2(CC1)COC1c3cccc(Cl)c3OC(C)(C)C1C2.
What is the InChIKey of 1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone?
The InChIKey is BPKUCPNILIMAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O3/c1-16-26-9-12-28(16)14-20(29)27-10-7-24(8-11-27)13-18-21(30-15-24)17-5-4-6-19(25)22(17)31-23(18,2)3/h4-6,9,12,18,21H,7-8,10-11,13-15H2,1-3H3.
What are the key properties of 1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone?
1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone has a molecular weight of 443.98 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)-2-(2-methylimidazol-1-yl)ethanone is sourced from PubChem (CID 155921738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).