[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone

C22H24FN5O — CID 125006454

IUPAC[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESCc1ncc(-c2cncc(C[C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)n1C
InChIInChI=1S/C22H24FN5O/c1-15-25-13-21(27(15)2)20-12-24-11-19(26-20)9-16-5-4-8-28(14-16)22(29)17-6-3-7-18(23)10-17/h3,6-7,10-13,16H,4-5,8-9,14H2,1-2H3/t16-/m0/s1
InChIKeyUGFWBAHGZOVSRI-INIZCTEOSA-N
MW393.47 g/mol
LogP3.42
Rot. Bonds4

About [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone

[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 125006454) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone
PubChem CID125006454
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESCc1ncc(-c2cncc(C[C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)n1C
InChIInChI=1S/C22H24FN5O/c1-15-25-13-21(27(15)2)20-12-24-11-19(26-20)9-16-5-4-8-28(14-16)22(29)17-6-3-7-18(23)10-17/h3,6-7,10-13,16H,4-5,8-9,14H2,1-2H3/t16-/m0/s1
InChIKeyUGFWBAHGZOVSRI-INIZCTEOSA-N
XLogP3.42
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone 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

[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124980349
[(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125021197
[3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 110110266
[4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110100536
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 125008856
1-[(3R)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 124955333
[3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110110265
[(3S)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 124976879
6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 124996307
(3-fluorophenyl)-[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 125007681
2-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyrazin-2-yl]-4-fluorobenzoic acid
CID 125020327
(2-benzyl-4-pyridinyl)-[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 110152249

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone (CID 125006454) is [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone is Cc1ncc(-c2cncc(C[C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)n1C.
What is the InChIKey of [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is UGFWBAHGZOVSRI-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-15-25-13-21(27(15)2)20-12-24-11-19(26-20)9-16-5-4-8-28(14-16)22(29)17-6-3-7-18(23)10-17/h3,6-7,10-13,16H,4-5,8-9,14H2,1-2H3/t16-/m0/s1.
What are the key properties of [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone?
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 393.47 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 125006454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).