[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone

C24H23ClN6OS — CID 121309813

IUPAC[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1
InChIInChI=1S/C24H23ClN6OS/c25-18-5-3-17(4-6-18)23-21(31-12-19(16-1-2-16)26-11-22(31)28-23)13-29-7-9-30(10-8-29)24(32)20-14-33-15-27-20/h3-6,11-12,14-16H,1-2,7-10,13H2
InChIKeyAJLSMXHZPXPRDE-UHFFFAOYSA-N
MW479.01 g/mol
LogP4.34
Rot. Bonds5

About [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone

[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 121309813) has the molecular formula C24H23ClN6OS and a molecular weight of 479.01 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID121309813
Molecular FormulaC24H23ClN6OS
Molecular Weight479.01 g/mol
Exact Mass478.13
IUPAC Name[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1
InChIInChI=1S/C24H23ClN6OS/c25-18-5-3-17(4-6-18)23-21(31-12-19(16-1-2-16)26-11-22(31)28-23)13-29-7-9-30(10-8-29)24(32)20-14-33-15-27-20/h3-6,11-12,14-16H,1-2,7-10,13H2
InChIKeyAJLSMXHZPXPRDE-UHFFFAOYSA-N
XLogP4.34
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.01
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-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 [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 121309813) is [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is AJLSMXHZPXPRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6OS/c25-18-5-3-17(4-6-18)23-21(31-12-19(16-1-2-16)26-11-22(31)28-23)13-29-7-9-30(10-8-29)24(32)20-14-33-15-27-20/h3-6,11-12,14-16H,1-2,7-10,13H2.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 479.01 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 121309813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).