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

C32H30ClN5O2 — CID 83275144

IUPAC4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cc1
InChIInChI=1S/C32H30ClN5O2/c1-40-28-14-12-27(13-15-28)34-32(39)37-19-17-36(18-20-37)22-29-31(24-7-10-26(33)11-8-24)35-30-16-9-25(21-38(29)30)23-5-3-2-4-6-23/h2-16,21H,17-20,22H2,1H3,(H,34,39)
InChIKeyNRYQOQVGXODULO-UHFFFAOYSA-N
MW552.08 g/mol
LogP6.68
Rot. Bonds6

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

4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 83275144) has the molecular formula C32H30ClN5O2 and a molecular weight of 552.08 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID83275144
Molecular FormulaC32H30ClN5O2
Molecular Weight552.08 g/mol
Exact Mass551.21
IUPAC Name4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cc1
InChIInChI=1S/C32H30ClN5O2/c1-40-28-14-12-27(13-15-28)34-32(39)37-19-17-36(18-20-37)22-29-31(24-7-10-26(33)11-8-24)35-30-16-9-25(21-38(29)30)23-5-3-2-4-6-23/h2-16,21H,17-20,22H2,1H3,(H,34,39)
InChIKeyNRYQOQVGXODULO-UHFFFAOYSA-N
XLogP6.68
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.08
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 83275144) is 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is NRYQOQVGXODULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClN5O2/c1-40-28-14-12-27(13-15-28)34-32(39)37-19-17-36(18-20-37)22-29-31(24-7-10-26(33)11-8-24)35-30-16-9-25(21-38(29)30)23-5-3-2-4-6-23/h2-16,21H,17-20,22H2,1H3,(H,34,39).
What are the key properties of 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 552.08 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 83275144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).