4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide

C24H23ClN6O2 — CID 46234627

IUPAC4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide
SMILESC1CN(CCN1CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)C(=O)NC4=CC5=NC=CN5C=N4
InChIInChI=1S/C24H23ClN6O2/c25-19-4-6-20(7-5-19)33-21-3-1-2-18(14-21)16-29-10-12-30(13-11-29)24(32)28-22-15-23-26-8-9-31(23)17-27-22/h1-9,14-15,17H,10-13,16H2,(H,28,32)
InChIKeyKIAIUCWFZVJNQH-UHFFFAOYSA-N
MW462.90 g/mol
LogP4.10
Rot. Bonds5

About 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide

4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide (PubChem CID 46234627) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.90 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide
PubChem CID46234627
Molecular FormulaC24H23ClN6O2
Molecular Weight462.90 g/mol
Exact Mass462.16
IUPAC Name4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide
SMILESC1CN(CCN1CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)C(=O)NC4=CC5=NC=CN5C=N4
InChIInChI=1S/C24H23ClN6O2/c25-19-4-6-20(7-5-19)33-21-3-1-2-18(14-21)16-29-10-12-30(13-11-29)24(32)28-22-15-23-26-8-9-31(23)17-27-22/h1-9,14-15,17H,10-13,16H2,(H,28,32)
InChIKeyKIAIUCWFZVJNQH-UHFFFAOYSA-N
XLogP4.10
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity640

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.90
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide 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

1-(5-Chloro-2-phenoxyphenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11497780
4-[3-(4-Chloro-phenoxy)-benzyl]-piperazine-1-carboxylic acid imidazo[1,2-b]pyridazin-3-ylamide
CID 46213948
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide
CID 46233810
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide
CID 46233971
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-3-ylpiperazine-1-carboxamide
CID 46234146
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperazine-1-carboxamide
CID 46234149
4-[3-(4-Chloro-phenoxy)-benzyl]-piperazine-1-carboxylic acid imidazo[1,2-a]pyridin-5-ylamide
CID 46234467
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide
CID 46234470
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyrimidin-7-ylpiperazine-1-carboxamide
CID 46234628
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyrimidin-5-ylpiperazine-1-carboxamide
CID 46234629
7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-phenylpyrimidin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 49821444
9-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 49821598

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide (CID 46234627) is 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide is C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)C(=O)NC4=CC5=NC=CN5C=N4.
What is the InChIKey of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide?
The InChIKey is KIAIUCWFZVJNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c25-19-4-6-20(7-5-19)33-21-3-1-2-18(14-21)16-29-10-12-30(13-11-29)24(32)28-22-15-23-26-8-9-31(23)17-27-22/h1-9,14-15,17H,10-13,16H2,(H,28,32).
What are the key properties of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide?
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide has a molecular weight of 462.90 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-c]pyrimidin-7-ylpiperazine-1-carboxamide is sourced from PubChem (CID 46234627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).