[5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C21H26FN5O — CID 109274875

IUPAC[5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cnc(NC2CCCCC2)cn1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H26FN5O/c22-17-8-4-5-9-19(17)26-10-12-27(13-11-26)21(28)18-14-24-20(15-23-18)25-16-6-2-1-3-7-16/h4-5,8-9,14-16H,1-3,6-7,10-13H2,(H,24,25)
InChIKeyVUPVAJJGTRXWOP-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.32
Rot. Bonds4

About [5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109274875) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is [5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109274875
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name[5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cnc(NC2CCCCC2)cn1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H26FN5O/c22-17-8-4-5-9-19(17)26-10-12-27(13-11-26)21(28)18-14-24-20(15-23-18)25-16-6-2-1-3-7-16/h4-5,8-9,14-16H,1-3,6-7,10-13H2,(H,24,25)
InChIKeyVUPVAJJGTRXWOP-UHFFFAOYSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109160477
[6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109112866
[5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109183120
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone
CID 109286479
[2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109166108
[5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278127
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109279509
[5-(cyclopentylamino)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109274083
[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 84574137
(6R)-N-cyclohexyl-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92743473
N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109249582
[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109271816

Frequently Asked Questions

What is the IUPAC name of [5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 109274875) is [5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cnc(NC2CCCCC2)cn1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is VUPVAJJGTRXWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c22-17-8-4-5-9-19(17)26-10-12-27(13-11-26)21(28)18-14-24-20(15-23-18)25-16-6-2-1-3-7-16/h4-5,8-9,14-16H,1-3,6-7,10-13H2,(H,24,25).
What are the key properties of [5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 383.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109274875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).