azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

C24H28ClFN4O — CID 42098612

IUPACazocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESC[C@H](NCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12)c1ccc(F)cc1
InChIInChI=1S/C24H28ClFN4O/c1-17(18-7-10-20(26)11-8-18)27-15-21-23(28-22-12-9-19(25)16-30(21)22)24(31)29-13-5-3-2-4-6-14-29/h7-12,16-17,27H,2-6,13-15H2,1H3/t17-/m0/s1
InChIKeyMDJHANWEZJYRDN-KRWDZBQOSA-N
MW442.97 g/mol
LogP5.38
Rot. Bonds5

About azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 42098612) has the molecular formula C24H28ClFN4O and a molecular weight of 442.97 g/mol. Its IUPAC name is azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID42098612
Molecular FormulaC24H28ClFN4O
Molecular Weight442.97 g/mol
Exact Mass442.19
IUPAC Nameazocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESC[C@H](NCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12)c1ccc(F)cc1
InChIInChI=1S/C24H28ClFN4O/c1-17(18-7-10-20(26)11-8-18)27-15-21-23(28-22-12-9-19(25)16-30(21)22)24(31)29-13-5-3-2-4-6-14-29/h7-12,16-17,27H,2-6,13-15H2,1H3/t17-/m0/s1
InChIKeyMDJHANWEZJYRDN-KRWDZBQOSA-N
XLogP5.38
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone 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 azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (CID 42098612) is azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is C[C@H](NCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12)c1ccc(F)cc1.
What is the InChIKey of azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is MDJHANWEZJYRDN-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H28ClFN4O/c1-17(18-7-10-20(26)11-8-18)27-15-21-23(28-22-12-9-19(25)16-30(21)22)24(31)29-13-5-3-2-4-6-14-29/h7-12,16-17,27H,2-6,13-15H2,1H3/t17-/m0/s1.
What are the key properties of azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 442.97 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 42098612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).