1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one

C30H34N4O2 — CID 51066873

IUPAC1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
SMILESCOc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C30H34N4O2/c1-22(2)18-29(35)33-16-14-32(15-17-33)21-27-30(24-10-7-11-26(19-24)36-3)31-28-13-12-25(20-34(27)28)23-8-5-4-6-9-23/h4-13,19-20,22H,14-18,21H2,1-3H3
InChIKeyGKQBFKSFRHQPRC-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.37
Rot. Bonds7

About 1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one

1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 51066873) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
PubChem CID51066873
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
SMILESCOc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C30H34N4O2/c1-22(2)18-29(35)33-16-14-32(15-17-33)21-27-30(24-10-7-11-26(19-24)36-3)31-28-13-12-25(20-34(27)28)23-8-5-4-6-9-23/h4-13,19-20,22H,14-18,21H2,1-3H3
InChIKeyGKQBFKSFRHQPRC-UHFFFAOYSA-N
XLogP5.37
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one (CID 51066873) is 1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one is COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)CC(C)C)CC2)c1.
What is the InChIKey of 1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is GKQBFKSFRHQPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-22(2)18-29(35)33-16-14-32(15-17-33)21-27-30(24-10-7-11-26(19-24)36-3)31-28-13-12-25(20-34(27)28)23-8-5-4-6-9-23/h4-13,19-20,22H,14-18,21H2,1-3H3.
What are the key properties of 1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one?
1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 482.63 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 51066873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).