[1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone

C26H25N4O2+ — CID 163475255

IUPAC[1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc([NH+]4C=Nc5cccnc54)cc3)CC2)cc1
InChIInChI=1S/C26H24N4O2/c1-18-4-6-19(7-5-18)24(31)20-12-15-29(16-13-20)26(32)21-8-10-22(11-9-21)30-17-28-23-3-2-14-27-25(23)30/h2-11,14,17,20H,12-13,15-16H2,1H3/p+1
InChIKeyBZWFFRPGUHMSEX-UHFFFAOYSA-O
MW425.51 g/mol
LogP3.65
Rot. Bonds4

About [1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone

[1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 163475255) has the molecular formula C26H25N4O2+ and a molecular weight of 425.51 g/mol. Its IUPAC name is [1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID163475255
Molecular FormulaC26H25N4O2+
Molecular Weight425.51 g/mol
Exact Mass425.20
IUPAC Name[1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc([NH+]4C=Nc5cccnc54)cc3)CC2)cc1
InChIInChI=1S/C26H24N4O2/c1-18-4-6-19(7-5-18)24(31)20-12-15-29(16-13-20)26(32)21-8-10-22(11-9-21)30-17-28-23-3-2-14-27-25(23)30/h2-11,14,17,20H,12-13,15-16H2,1H3/p+1
InChIKeyBZWFFRPGUHMSEX-UHFFFAOYSA-O
XLogP3.65
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 141265347
[1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 51089756
(4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
CID 86824640
(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 55956327
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 122106252
(4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]methanone
CID 75405119
[4-(4-methylphenyl)phenyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151194
(4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 67381029
(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 55956853

Frequently Asked Questions

What is the IUPAC name of [1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone (CID 163475255) is [1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCN(C(=O)c3ccc([NH+]4C=Nc5cccnc54)cc3)CC2)cc1.
What is the InChIKey of [1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is BZWFFRPGUHMSEX-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H24N4O2/c1-18-4-6-19(7-5-18)24(31)20-12-15-29(16-13-20)26(32)21-8-10-22(11-9-21)30-17-28-23-3-2-14-27-25(23)30/h2-11,14,17,20H,12-13,15-16H2,1H3/p+1.
What are the key properties of [1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone?
[1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 425.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 163475255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).