[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone

C32H44ClN5O2 — CID 139452161

IUPAC[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone
SMILESNC1(C(=O)N2CCN(C(=O)c3ccc(-c4nc5n(c4Cl)C4(CCCCCCCCC4)CCC5)cc3)CC2)CCC1
InChIInChI=1S/C32H44ClN5O2/c33-28-27(35-26-10-8-17-31(38(26)28)15-6-4-2-1-3-5-7-16-31)24-11-13-25(14-12-24)29(39)36-20-22-37(23-21-36)30(40)32(34)18-9-19-32/h11-14H,1-10,15-23,34H2
InChIKeyONRLDBMGLNVHRW-UHFFFAOYSA-N
MW566.19 g/mol
LogP5.93
Rot. Bonds3

About [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone

[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone (PubChem CID 139452161) has the molecular formula C32H44ClN5O2 and a molecular weight of 566.19 g/mol. Its IUPAC name is [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone
PubChem CID139452161
Molecular FormulaC32H44ClN5O2
Molecular Weight566.19 g/mol
Exact Mass565.32
IUPAC Name[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone
SMILESNC1(C(=O)N2CCN(C(=O)c3ccc(-c4nc5n(c4Cl)C4(CCCCCCCCC4)CCC5)cc3)CC2)CCC1
InChIInChI=1S/C32H44ClN5O2/c33-28-27(35-26-10-8-17-31(38(26)28)15-6-4-2-1-3-5-7-16-31)24-11-13-25(14-12-24)29(39)36-20-22-37(23-21-36)30(40)32(34)18-9-19-32/h11-14H,1-10,15-23,34H2
InChIKeyONRLDBMGLNVHRW-UHFFFAOYSA-N
XLogP5.93
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.19
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone 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

[4-(1-aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]-(4-chlorophenyl)methanone;hydrochloride
CID 119302744
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 119281941
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone
CID 119309536
[4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 155197014
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]methanone
CID 162300450
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone
CID 118621575
[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 119297822
3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one
CID 161388153
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-cyclopropyloxyphenyl)phenyl]methanone
CID 118633877
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride
CID 119278586
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 119703799
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-(4-spiro[6,7-dihydro-5H-imidazo[1,2-b]pyridazine-8,1'-cycloundecane]-6-ylphenyl)methanone
CID 139379714

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone?
The IUPAC name of [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone (CID 139452161) is [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone.
What is the SMILES notation for [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone?
The canonical SMILES for [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone is NC1(C(=O)N2CCN(C(=O)c3ccc(-c4nc5n(c4Cl)C4(CCCCCCCCC4)CCC5)cc3)CC2)CCC1.
What is the InChIKey of [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone?
The InChIKey is ONRLDBMGLNVHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44ClN5O2/c33-28-27(35-26-10-8-17-31(38(26)28)15-6-4-2-1-3-5-7-16-31)24-11-13-25(14-12-24)29(39)36-20-22-37(23-21-36)30(40)32(34)18-9-19-32/h11-14H,1-10,15-23,34H2.
What are the key properties of [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone?
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone has a molecular weight of 566.19 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone is sourced from PubChem (CID 139452161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).