3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide

C29H27BrFN5O2 — CID 171681348

IUPAC3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide
SMILESO=C(CCc1cccc(Br)c1F)Nc1ccc(C2CCN(C(=O)c3cncn3-c3ccncc3)CC2)cc1
InChIInChI=1S/C29H27BrFN5O2/c30-25-3-1-2-22(28(25)31)6-9-27(37)34-23-7-4-20(5-8-23)21-12-16-35(17-13-21)29(38)26-18-33-19-36(26)24-10-14-32-15-11-24/h1-5,7-8,10-11,14-15,18-19,21H,6,9,12-13,16-17H2,(H,34,37)
InChIKeyUZZVVYZBAGJPPL-UHFFFAOYSA-N
MW576.47 g/mol
LogP5.76
Rot. Bonds7

About 3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide

3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide (PubChem CID 171681348) has the molecular formula C29H27BrFN5O2 and a molecular weight of 576.47 g/mol. Its IUPAC name is 3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide
PubChem CID171681348
Molecular FormulaC29H27BrFN5O2
Molecular Weight576.47 g/mol
Exact Mass575.13
IUPAC Name3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide
SMILESO=C(CCc1cccc(Br)c1F)Nc1ccc(C2CCN(C(=O)c3cncn3-c3ccncc3)CC2)cc1
InChIInChI=1S/C29H27BrFN5O2/c30-25-3-1-2-22(28(25)31)6-9-27(37)34-23-7-4-20(5-8-23)21-12-16-35(17-13-21)29(38)26-18-33-19-36(26)24-10-14-32-15-11-24/h1-5,7-8,10-11,14-15,18-19,21H,6,9,12-13,16-17H2,(H,34,37)
InChIKeyUZZVVYZBAGJPPL-UHFFFAOYSA-N
XLogP5.76
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.47
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-[3-(3-bromo-2-fluorophenyl)propanoyl]piperidin-4-yl]phenyl]-2-(dimethylamino)-1,3-oxazole-5-carboxamide
CID 171683857
methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate
CID 171685110
N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-3-(2-methyl-3-pyridinyl)propanamide
CID 171685778
3-(2,6-dimethyl-3-pyridinyl)-N-[4-[1-[1-methyl-5-(trifluoromethyl)pyrrole-2-carbonyl]piperidin-4-yl]phenyl]propanamide
CID 171684899
N-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide
CID 171683561
[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286851
[3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119543316
[3-(4-fluorophenyl)imidazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120833458
3-(4-bromophenoxy)-N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]propanamide
CID 171685145
N-[4-[1-(quinazoline-6-carbonyl)piperidin-4-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 171685190
N-[4-[1-[3-(2-bromo-5-fluorophenyl)propanoyl]piperidin-4-yl]phenyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide
CID 171684799
3-(benzenesulfonyl)-N-[4-[1-(quinoline-8-carbonyl)piperidin-4-yl]phenyl]propanamide
CID 171699050

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide?
The IUPAC name of 3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide (CID 171681348) is 3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide.
What is the SMILES notation for 3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide?
The canonical SMILES for 3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide is O=C(CCc1cccc(Br)c1F)Nc1ccc(C2CCN(C(=O)c3cncn3-c3ccncc3)CC2)cc1.
What is the InChIKey of 3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide?
The InChIKey is UZZVVYZBAGJPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27BrFN5O2/c30-25-3-1-2-22(28(25)31)6-9-27(37)34-23-7-4-20(5-8-23)21-12-16-35(17-13-21)29(38)26-18-33-19-36(26)24-10-14-32-15-11-24/h1-5,7-8,10-11,14-15,18-19,21H,6,9,12-13,16-17H2,(H,34,37).
What are the key properties of 3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide?
3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide has a molecular weight of 576.47 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-fluorophenyl)-N-[4-[1-(3-pyridin-4-ylimidazole-4-carbonyl)piperidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 171681348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).