13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

C25H28ClN5O2S — CID 10195899

IUPAC13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCS(=O)(=O)N1CCN(C2c3ccc(Cl)cc3C(CCCn3ccnc3)=Cc3cccnc32)CC1
InChIInChI=1S/C25H28ClN5O2S/c1-34(32,33)31-14-12-30(13-15-31)25-22-7-6-21(26)17-23(22)19(5-3-10-29-11-9-27-18-29)16-20-4-2-8-28-24(20)25/h2,4,6-9,11,16-18,25H,3,5,10,12-15H2,1H3
InChIKeyPANZVOZLZIUTRZ-UHFFFAOYSA-N
MW498.05 g/mol
LogP3.93
Rot. Bonds6

About 13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (PubChem CID 10195899) has the molecular formula C25H28ClN5O2S and a molecular weight of 498.05 g/mol. Its IUPAC name is 13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.

Molecular Properties

Compound Name13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
PubChem CID10195899
Molecular FormulaC25H28ClN5O2S
Molecular Weight498.05 g/mol
Exact Mass497.17
IUPAC Name13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCS(=O)(=O)N1CCN(C2c3ccc(Cl)cc3C(CCCn3ccnc3)=Cc3cccnc32)CC1
InChIInChI=1S/C25H28ClN5O2S/c1-34(32,33)31-14-12-30(13-15-31)25-22-7-6-21(26)17-23(22)19(5-3-10-29-11-9-27-18-29)16-20-4-2-8-28-24(20)25/h2,4,6-9,11,16-18,25H,3,5,10,12-15H2,1H3
InChIKeyPANZVOZLZIUTRZ-UHFFFAOYSA-N
XLogP3.93
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.05
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene 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-[(11S)-8-Chloro-6-[(1-methyl-1H-imidazol-5-yl)methyl]-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-N-(4-cyanophenyl)-1-piperazinecarboxamide
CID 46231823
4-[3-[4-(3-Chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
CID 10762497
2-[(3-Chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine
CID 24745333
US9725436, Entry 2
CID 121481888
(E)-1-(4-(3-((1H-imidazol-1-yl)methyl)-5-chlorostyryl)phenyl)-4-(pyridin-3-ylsulfonyl)piperazine
CID 122439276
4-(4-Chloro-2-methylphenyl)-2-ethyl-1-pentan-2-ylimidazo[4,5-c]pyridine
CID 44274662
2-[Bis-(4-chloro-phenyl)-imidazol-1-yl-methyl]-pyridine
CID 44356651
4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)-N-cyano-N'-(3-imidazol-1-ylpropyl)piperidine-1-carboximidamide
CID 44370720
4-[(2R)-13-chloro-10-[(3-methylimidazol-4-yl)methyl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 46231896
5-[(4-Chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidine
CID 56662291
13-Chloro-2-[1-(pyrimidin-4-ylmethyl)piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 155521446
N-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide
CID 155546134

Frequently Asked Questions

What is the IUPAC name of 13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The IUPAC name of 13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (CID 10195899) is 13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.
What is the SMILES notation for 13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The canonical SMILES for 13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is CS(=O)(=O)N1CCN(C2c3ccc(Cl)cc3C(CCCn3ccnc3)=Cc3cccnc32)CC1.
What is the InChIKey of 13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The InChIKey is PANZVOZLZIUTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2S/c1-34(32,33)31-14-12-30(13-15-31)25-22-7-6-21(26)17-23(22)19(5-3-10-29-11-9-27-18-29)16-20-4-2-8-28-24(20)25/h2,4,6-9,11,16-18,25H,3,5,10,12-15H2,1H3.
What are the key properties of 13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene has a molecular weight of 498.05 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-10-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is sourced from PubChem (CID 10195899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).