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

C23H30ClN3O2 — CID 155921759

IUPAC7-chloro-5,5-dimethyl-1'-[(3-methylimidazol-4-yl)methyl]spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]
SMILESCn1cncc1CN1CCC2(CC1)COC1c3cccc(Cl)c3OC(C)(C)C1C2
InChIInChI=1S/C23H30ClN3O2/c1-22(2)18-11-23(7-9-27(10-8-23)13-16-12-25-15-26(16)3)14-28-20(18)17-5-4-6-19(24)21(17)29-22/h4-6,12,15,18,20H,7-11,13-14H2,1-3H3
InChIKeyHTOJAFJZNQYDKT-UHFFFAOYSA-N
MW415.97 g/mol
LogP4.60
Rot. Bonds2

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

7-chloro-5,5-dimethyl-1'-[(3-methylimidazol-4-yl)methyl]spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine] (PubChem CID 155921759) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 7-chloro-5,5-dimethyl-1'-[(3-methylimidazol-4-yl)methyl]spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine].

Molecular Properties

Compound Name7-chloro-5,5-dimethyl-1'-[(3-methylimidazol-4-yl)methyl]spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]
PubChem CID155921759
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC Name7-chloro-5,5-dimethyl-1'-[(3-methylimidazol-4-yl)methyl]spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]
SMILESCn1cncc1CN1CCC2(CC1)COC1c3cccc(Cl)c3OC(C)(C)C1C2
InChIInChI=1S/C23H30ClN3O2/c1-22(2)18-11-23(7-9-27(10-8-23)13-16-12-25-15-26(16)3)14-28-20(18)17-5-4-6-19(24)21(17)29-22/h4-6,12,15,18,20H,7-11,13-14H2,1-3H3
InChIKeyHTOJAFJZNQYDKT-UHFFFAOYSA-N
XLogP4.60
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-5,5-dimethyl-1'-[(3-methylimidazol-4-yl)methyl]spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-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

US10807993, Example 16
CID 155921748
US10807993, Example 17
CID 155921749
US10807993, Example 31
CID 155921756
US10807993, Example 1
CID 139525996
US10807993, Example 18
CID 139526073
US10807993, Example 64a
CID 139526273
US10807993, Example 38
CID 149052264
US10807993, Example 49
CID 153166870
US10807993, Example 6
CID 155921738
US10807993, Example 24
CID 155921751
US10807993, Example 27
CID 155921752
US10807993, Example 28
CID 155921753

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5,5-dimethyl-1'-[(3-methylimidazol-4-yl)methyl]spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]?
The IUPAC name of 7-chloro-5,5-dimethyl-1'-[(3-methylimidazol-4-yl)methyl]spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine] (CID 155921759) is 7-chloro-5,5-dimethyl-1'-[(3-methylimidazol-4-yl)methyl]spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine].
What is the SMILES notation for 7-chloro-5,5-dimethyl-1'-[(3-methylimidazol-4-yl)methyl]spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]?
The canonical SMILES for 7-chloro-5,5-dimethyl-1'-[(3-methylimidazol-4-yl)methyl]spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine] is Cn1cncc1CN1CCC2(CC1)COC1c3cccc(Cl)c3OC(C)(C)C1C2.
What is the InChIKey of 7-chloro-5,5-dimethyl-1'-[(3-methylimidazol-4-yl)methyl]spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]?
The InChIKey is HTOJAFJZNQYDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O2/c1-22(2)18-11-23(7-9-27(10-8-23)13-16-12-25-15-26(16)3)14-28-20(18)17-5-4-6-19(24)21(17)29-22/h4-6,12,15,18,20H,7-11,13-14H2,1-3H3.
What are the key properties of 7-chloro-5,5-dimethyl-1'-[(3-methylimidazol-4-yl)methyl]spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]?
7-chloro-5,5-dimethyl-1'-[(3-methylimidazol-4-yl)methyl]spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine] has a molecular weight of 415.97 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5,5-dimethyl-1'-[(3-methylimidazol-4-yl)methyl]spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine] is sourced from PubChem (CID 155921759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).