[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone

C25H25N5O — CID 53148865

IUPAC[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3cccc(-c4nc5cccnc5n4C)c3)CC2)cc1
InChIInChI=1S/C25H25N5O/c1-18-8-10-21(11-9-18)29-13-15-30(16-14-29)25(31)20-6-3-5-19(17-20)23-27-22-7-4-12-26-24(22)28(23)2/h3-12,17H,13-16H2,1-2H3
InChIKeyQIPKAPGURLWMLM-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.91
Rot. Bonds3

About [3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone

[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone (PubChem CID 53148865) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is [3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
PubChem CID53148865
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3cccc(-c4nc5cccnc5n4C)c3)CC2)cc1
InChIInChI=1S/C25H25N5O/c1-18-8-10-21(11-9-18)29-13-15-30(16-14-29)25(31)20-6-3-5-19(17-20)23-27-22-7-4-12-26-24(22)28(23)2/h3-12,17H,13-16H2,1-2H3
InChIKeyQIPKAPGURLWMLM-UHFFFAOYSA-N
XLogP3.91
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149035
(4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149033
(3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 46277244
[4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149042
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50847863
[4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-hydroxyphenyl)phenyl]methanone
CID 2106289
[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone
CID 20916120
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 50752799

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone (CID 53148865) is [3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)c3cccc(-c4nc5cccnc5n4C)c3)CC2)cc1.
What is the InChIKey of [3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is QIPKAPGURLWMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-18-8-10-21(11-9-18)29-13-15-30(16-14-29)25(31)20-6-3-5-19(17-20)23-27-22-7-4-12-26-24(22)28(23)2/h3-12,17H,13-16H2,1-2H3.
What are the key properties of [3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone?
[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 411.51 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 53148865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).