[4-[[6-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone

C29H24Cl2N4OS — CID 83290342

IUPAC[4-[[6-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4cccc(Cl)c4)cn23)CC1
InChIInChI=1S/C29H24Cl2N4OS/c30-23-9-6-20(7-10-23)28-25(19-33-12-14-34(15-13-33)29(36)26-5-2-16-37-26)35-18-22(8-11-27(35)32-28)21-3-1-4-24(31)17-21/h1-11,16-18H,12-15,19H2
InChIKeyNSQPNXFRFVQSAV-UHFFFAOYSA-N
MW547.51 g/mol
LogP6.99
Rot. Bonds5

About [4-[[6-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[[6-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 83290342) has the molecular formula C29H24Cl2N4OS and a molecular weight of 547.51 g/mol. Its IUPAC name is [4-[[6-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[[6-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID83290342
Molecular FormulaC29H24Cl2N4OS
Molecular Weight547.51 g/mol
Exact Mass546.10
IUPAC Name[4-[[6-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4cccc(Cl)c4)cn23)CC1
InChIInChI=1S/C29H24Cl2N4OS/c30-23-9-6-20(7-10-23)28-25(19-33-12-14-34(15-13-33)29(36)26-5-2-16-37-26)35-18-22(8-11-27(35)32-28)21-3-1-4-24(31)17-21/h1-11,16-18H,12-15,19H2
InChIKeyNSQPNXFRFVQSAV-UHFFFAOYSA-N
XLogP6.99
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.51
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[6-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[[6-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 83290342) is [4-[[6-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[[6-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[[6-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4cccc(Cl)c4)cn23)CC1.
What is the InChIKey of [4-[[6-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is NSQPNXFRFVQSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl2N4OS/c30-23-9-6-20(7-10-23)28-25(19-33-12-14-34(15-13-33)29(36)26-5-2-16-37-26)35-18-22(8-11-27(35)32-28)21-3-1-4-24(31)17-21/h1-11,16-18H,12-15,19H2.
What are the key properties of [4-[[6-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[[6-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 547.51 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 83290342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).