2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine

C20H21F2N5 — CID 110110617

IUPAC2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine
SMILESCc1cnc(-c2nccnc2C2CCCN(Cc3cc(F)cc(F)c3)C2)[nH]1
InChIInChI=1S/C20H21F2N5/c1-13-10-25-20(26-13)19-18(23-4-5-24-19)15-3-2-6-27(12-15)11-14-7-16(21)9-17(22)8-14/h4-5,7-10,15H,2-3,6,11-12H2,1H3,(H,25,26)
InChIKeyILAGVZWGDWOMEJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.83
Rot. Bonds4

About 2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine

2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine (PubChem CID 110110617) has the molecular formula C20H21F2N5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine.

Molecular Properties

Compound Name2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine
PubChem CID110110617
Molecular FormulaC20H21F2N5
Molecular Weight369.42 g/mol
Exact Mass369.18
IUPAC Name2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine
SMILESCc1cnc(-c2nccnc2C2CCCN(Cc3cc(F)cc(F)c3)C2)[nH]1
InChIInChI=1S/C20H21F2N5/c1-13-10-25-20(26-13)19-18(23-4-5-24-19)15-3-2-6-27(12-15)11-14-7-16(21)9-17(22)8-14/h4-5,7-10,15H,2-3,6,11-12H2,1H3,(H,25,26)
InChIKeyILAGVZWGDWOMEJ-UHFFFAOYSA-N
XLogP3.83
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 124967094
2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95818618
[3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110110996
[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 125004251
4-[[(3S)-3-[[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]benzoic acid
CID 125005210
2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine
CID 95818585
1-[(3,5-dimethoxyphenyl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 110104080
cyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110099989
2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 125022368
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
CID 110109889
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110254810

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine?
The IUPAC name of 2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine (CID 110110617) is 2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine.
What is the SMILES notation for 2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine?
The canonical SMILES for 2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine is Cc1cnc(-c2nccnc2C2CCCN(Cc3cc(F)cc(F)c3)C2)[nH]1.
What is the InChIKey of 2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine?
The InChIKey is ILAGVZWGDWOMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5/c1-13-10-25-20(26-13)19-18(23-4-5-24-19)15-3-2-6-27(12-15)11-14-7-16(21)9-17(22)8-14/h4-5,7-10,15H,2-3,6,11-12H2,1H3,(H,25,26).
What are the key properties of 2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine?
2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine has a molecular weight of 369.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine is sourced from PubChem (CID 110110617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).