8-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C24H26ClN5O — CID 118395147

IUPAC8-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1nc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1C
InChIInChI=1S/C24H26ClN5O/c1-16-28-21(15-29(16)2)18-5-3-17(4-6-18)19-13-26-14-20(25)22(19)30-11-8-24(9-12-30)7-10-27-23(24)31/h3-6,13-15H,7-12H2,1-2H3,(H,27,31)
InChIKeyIZIZTVUBBXGCPR-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.22
Rot. Bonds3

About 8-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118395147) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is 8-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118395147
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name8-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1nc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1C
InChIInChI=1S/C24H26ClN5O/c1-16-28-21(15-29(16)2)18-5-3-17(4-6-18)19-13-26-14-20(25)22(19)30-11-8-24(9-12-30)7-10-27-23(24)31/h3-6,13-15H,7-12H2,1-2H3,(H,27,31)
InChIKeyIZIZTVUBBXGCPR-UHFFFAOYSA-N
XLogP4.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-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-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 118395147) is 8-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1nc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1C.
What is the InChIKey of 8-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is IZIZTVUBBXGCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O/c1-16-28-21(15-29(16)2)18-5-3-17(4-6-18)19-13-26-14-20(25)22(19)30-11-8-24(9-12-30)7-10-27-23(24)31/h3-6,13-15H,7-12H2,1-2H3,(H,27,31).
What are the key properties of 8-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 435.96 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118395147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).