4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

C26H28N6O — CID 46360033

IUPAC4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
SMILESO=C(CCCc1nc2cccnc2n1Cc1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H28N6O/c33-25(31-18-16-30(17-19-31)23-11-4-5-14-27-23)13-6-12-24-29-22-10-7-15-28-26(22)32(24)20-21-8-2-1-3-9-21/h1-5,7-11,14-15H,6,12-13,16-20H2
InChIKeyVQCLDVUOVVMGPE-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.55
Rot. Bonds7

About 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one (PubChem CID 46360033) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
PubChem CID46360033
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
SMILESO=C(CCCc1nc2cccnc2n1Cc1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H28N6O/c33-25(31-18-16-30(17-19-31)23-11-4-5-14-27-23)13-6-12-24-29-22-10-7-15-28-26(22)32(24)20-21-8-2-1-3-9-21/h1-5,7-11,14-15H,6,12-13,16-20H2
InChIKeyVQCLDVUOVVMGPE-UHFFFAOYSA-N
XLogP3.55
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one with MolForge

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Related Compounds

4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 46360206
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-piperidin-1-ylbutan-1-one
CID 46360225
4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 83273218
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 46360068
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 22582716
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 110344471
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide
CID 46360040
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 3214161
1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butan-1-one
CID 46359973
4-benzyl-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021545

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one (CID 46360033) is 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one is O=C(CCCc1nc2cccnc2n1Cc1ccccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The InChIKey is VQCLDVUOVVMGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c33-25(31-18-16-30(17-19-31)23-11-4-5-14-27-23)13-6-12-24-29-22-10-7-15-28-26(22)32(24)20-21-8-2-1-3-9-21/h1-5,7-11,14-15H,6,12-13,16-20H2.
What are the key properties of 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one has a molecular weight of 440.55 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 46360033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).