[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

C19H17F2N5O — CID 51128398

IUPAC[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1
InChIInChI=1S/C19H17F2N5O/c20-14-2-1-13(9-15(14)21)16-11-24-18(25-16)12-3-7-26(8-4-12)19(27)17-10-22-5-6-23-17/h1-2,5-6,9-12H,3-4,7-8H2,(H,24,25)
InChIKeyIUVKPUMEQLVHKD-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.16
Rot. Bonds3

About [4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 51128398) has the molecular formula C19H17F2N5O and a molecular weight of 369.38 g/mol. Its IUPAC name is [4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID51128398
Molecular FormulaC19H17F2N5O
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1
InChIInChI=1S/C19H17F2N5O/c20-14-2-1-13(9-15(14)21)16-11-24-18(25-16)12-3-7-26(8-4-12)19(27)17-10-22-5-6-23-17/h1-2,5-6,9-12H,3-4,7-8H2,(H,24,25)
InChIKeyIUVKPUMEQLVHKD-UHFFFAOYSA-N
XLogP3.16
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone
CID 95148860
4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 110092665
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 91946483
[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110117008
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650991
tert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 146167371
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110268757
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 41419767
pyrazin-2-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841608
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 42298601
[4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 97362233

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 51128398) is [4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1.
What is the InChIKey of [4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is IUVKPUMEQLVHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O/c20-14-2-1-13(9-15(14)21)16-11-24-18(25-16)12-3-7-26(8-4-12)19(27)17-10-22-5-6-23-17/h1-2,5-6,9-12H,3-4,7-8H2,(H,24,25).
What are the key properties of [4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 369.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 51128398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).