4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide

C33H32ClN5O — CID 91634484

IUPAC4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2CN2CCN(C(=O)Nc3ccccc3C)CC2)cc1
InChIInChI=1S/C33H32ClN5O/c1-23-11-13-25(14-12-23)32-30(39-21-26(15-16-31(39)36-32)27-8-4-5-9-28(27)34)22-37-17-19-38(20-18-37)33(40)35-29-10-6-3-7-24(29)2/h3-16,21H,17-20,22H2,1-2H3,(H,35,40)
InChIKeyHBIYIHYXTAYICL-UHFFFAOYSA-N
MW550.11 g/mol
LogP7.29
Rot. Bonds5

About 4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide

4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 91634484) has the molecular formula C33H32ClN5O and a molecular weight of 550.11 g/mol. Its IUPAC name is 4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID91634484
Molecular FormulaC33H32ClN5O
Molecular Weight550.11 g/mol
Exact Mass549.23
IUPAC Name4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2CN2CCN(C(=O)Nc3ccccc3C)CC2)cc1
InChIInChI=1S/C33H32ClN5O/c1-23-11-13-25(14-12-23)32-30(39-21-26(15-16-31(39)36-32)27-8-4-5-9-28(27)34)22-37-17-19-38(20-18-37)33(40)35-29-10-6-3-7-24(29)2/h3-16,21H,17-20,22H2,1-2H3,(H,35,40)
InChIKeyHBIYIHYXTAYICL-UHFFFAOYSA-N
XLogP7.29
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.11
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide (CID 91634484) is 4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide is Cc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2CN2CCN(C(=O)Nc3ccccc3C)CC2)cc1.
What is the InChIKey of 4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is HBIYIHYXTAYICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32ClN5O/c1-23-11-13-25(14-12-23)32-30(39-21-26(15-16-31(39)36-32)27-8-4-5-9-28(27)34)22-37-17-19-38(20-18-37)33(40)35-29-10-6-3-7-24(29)2/h3-16,21H,17-20,22H2,1-2H3,(H,35,40).
What are the key properties of 4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide?
4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 550.11 g/mol, XLogP of 7.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 91634484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).