[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate

C21H25N5O3 — CID 69371146

IUPAC[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate
SMILESCN1CCN(CCOc2ccc(-c3cn4cccc(OC(N)=O)c4n3)cc2)CC1
InChIInChI=1S/C21H25N5O3/c1-24-9-11-25(12-10-24)13-14-28-17-6-4-16(5-7-17)18-15-26-8-2-3-19(20(26)23-18)29-21(22)27/h2-8,15H,9-14H2,1H3,(H2,22,27)
InChIKeyQFNMPMRSIYOXAJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.09
Rot. Bonds6

About [2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate

[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate (PubChem CID 69371146) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is [2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate.

Molecular Properties

Compound Name[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate
PubChem CID69371146
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate
SMILESCN1CCN(CCOc2ccc(-c3cn4cccc(OC(N)=O)c4n3)cc2)CC1
InChIInChI=1S/C21H25N5O3/c1-24-9-11-25(12-10-24)13-14-28-17-6-4-16(5-7-17)18-15-26-8-2-3-19(20(26)23-18)29-21(22)27/h2-8,15H,9-14H2,1H3,(H2,22,27)
InChIKeyQFNMPMRSIYOXAJ-UHFFFAOYSA-N
XLogP2.09
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate with MolForge

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Related Compounds

[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate
CID 69371327
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate
CID 171984006
5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine
CID 118271335
2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide
CID 22014900
[2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate
CID 18388185
4-butoxy-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055781
[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate
CID 44538760
[4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl] carbamate
CID 175125397
8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine
CID 22015632
4-[2-(4-methoxyphenoxy)ethyl]-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 33252826
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 119903586

Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate?
The IUPAC name of [2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate (CID 69371146) is [2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate.
What is the SMILES notation for [2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate?
The canonical SMILES for [2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate is CN1CCN(CCOc2ccc(-c3cn4cccc(OC(N)=O)c4n3)cc2)CC1.
What is the InChIKey of [2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate?
The InChIKey is QFNMPMRSIYOXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-24-9-11-25(12-10-24)13-14-28-17-6-4-16(5-7-17)18-15-26-8-2-3-19(20(26)23-18)29-21(22)27/h2-8,15H,9-14H2,1H3,(H2,22,27).
What are the key properties of [2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate?
[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate has a molecular weight of 395.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate is sourced from PubChem (CID 69371146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).