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

C28H24ClN5OS — CID 121309708

IUPAC[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C28H24ClN5OS/c29-23-9-6-21(7-10-23)27-25(17-32-12-14-33(15-13-32)28(35)24-18-36-19-30-24)34-16-22(8-11-26(34)31-27)20-4-2-1-3-5-20/h1-11,16,18-19H,12-15,17H2
InChIKeyLVZFMSIJUHOSCC-UHFFFAOYSA-N
MW514.05 g/mol
LogP5.74
Rot. Bonds5

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

[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 121309708) has the molecular formula C28H24ClN5OS and a molecular weight of 514.05 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID121309708
Molecular FormulaC28H24ClN5OS
Molecular Weight514.05 g/mol
Exact Mass513.14
IUPAC Name[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C28H24ClN5OS/c29-23-9-6-21(7-10-23)27-25(17-32-12-14-33(15-13-32)28(35)24-18-36-19-30-24)34-16-22(8-11-26(34)31-27)20-4-2-1-3-5-20/h1-11,16,18-19H,12-15,17H2
InChIKeyLVZFMSIJUHOSCC-UHFFFAOYSA-N
XLogP5.74
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.05
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 121309708) is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is LVZFMSIJUHOSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN5OS/c29-23-9-6-21(7-10-23)27-25(17-32-12-14-33(15-13-32)28(35)24-18-36-19-30-24)34-16-22(8-11-26(34)31-27)20-4-2-1-3-5-20/h1-11,16,18-19H,12-15,17H2.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 514.05 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 121309708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).