(3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone

C23H21N5O — CID 46277244

IUPAC(3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(-n2cnc3cccnc32)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H21N5O/c29-23(27-14-12-26(13-15-27)19-7-2-1-3-8-19)18-6-4-9-20(16-18)28-17-25-21-10-5-11-24-22(21)28/h1-11,16-17H,12-15H2
InChIKeyZOBNPQUSTZKGSL-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.38
Rot. Bonds3

About (3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone

(3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 46277244) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is (3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID46277244
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name(3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(-n2cnc3cccnc32)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H21N5O/c29-23(27-14-12-26(13-15-27)19-7-2-1-3-8-19)18-6-4-9-20(16-18)28-17-25-21-10-5-11-24-22(21)28/h1-11,16-17H,12-15H2
InChIKeyZOBNPQUSTZKGSL-UHFFFAOYSA-N
XLogP3.38
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone
CID 46277257
[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 53148865
[3-(5-bromoimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 89494171
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone
CID 53069710
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358
1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
CID 2496275
[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 47877940
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone
CID 121080190
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749

Frequently Asked Questions

What is the IUPAC name of (3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone (CID 46277244) is (3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1cccc(-n2cnc3cccnc32)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is ZOBNPQUSTZKGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c29-23(27-14-12-26(13-15-27)19-7-2-1-3-8-19)18-6-4-9-20(16-18)28-17-25-21-10-5-11-24-22(21)28/h1-11,16-17H,12-15H2.
What are the key properties of (3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone?
(3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 383.46 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 46277244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).