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

C33H31Cl2N5O2 — CID 90488688

IUPAC4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccc(Cl)cc5C)cn34)CC2)c1
InChIInChI=1S/C33H31Cl2N5O2/c1-22-18-26(35)11-12-29(22)24-8-13-31-37-32(23-6-9-25(34)10-7-23)30(40(31)20-24)21-38-14-16-39(17-15-38)33(41)36-27-4-3-5-28(19-27)42-2/h3-13,18-20H,14-17,21H2,1-2H3,(H,36,41)
InChIKeyMRCLQXWSPFKIEE-UHFFFAOYSA-N
MW600.55 g/mol
LogP7.64
Rot. Bonds6

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

4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 90488688) has the molecular formula C33H31Cl2N5O2 and a molecular weight of 600.55 g/mol. Its IUPAC name is 4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID90488688
Molecular FormulaC33H31Cl2N5O2
Molecular Weight600.55 g/mol
Exact Mass599.19
IUPAC Name4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccc(Cl)cc5C)cn34)CC2)c1
InChIInChI=1S/C33H31Cl2N5O2/c1-22-18-26(35)11-12-29(22)24-8-13-31-37-32(23-6-9-25(34)10-7-23)30(40(31)20-24)21-38-14-16-39(17-15-38)33(41)36-27-4-3-5-28(19-27)42-2/h3-13,18-20H,14-17,21H2,1-2H3,(H,36,41)
InChIKeyMRCLQXWSPFKIEE-UHFFFAOYSA-N
XLogP7.64
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.55
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 83276239
3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 91635351
1-[4-[[6-(2,5-dimethylphenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 83281400
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 30464115
N-(2,6-dimethylphenyl)-4-[[6-(3-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide
CID 83286760
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 121309682
[4-[[6-(2,5-dimethylphenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 83285810
(2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83277085
cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83285824
1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286724
1-[4-[[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286683
[4-[[6-(2,5-dimethylphenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83276161

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide (CID 90488688) is 4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccc(Cl)cc5C)cn34)CC2)c1.
What is the InChIKey of 4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is MRCLQXWSPFKIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31Cl2N5O2/c1-22-18-26(35)11-12-29(22)24-8-13-31-37-32(23-6-9-25(34)10-7-23)30(40(31)20-24)21-38-14-16-39(17-15-38)33(41)36-27-4-3-5-28(19-27)42-2/h3-13,18-20H,14-17,21H2,1-2H3,(H,36,41).
What are the key properties of 4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 600.55 g/mol, XLogP of 7.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 90488688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).