5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C17H16F3N5O2 — CID 109278987

IUPAC5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=CN1CCN(c2cnc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)12-1-3-13(4-2-12)23-16(27)14-9-22-15(10-21-14)25-7-5-24(11-26)6-8-25/h1-4,9-11H,5-8H2,(H,23,27)
InChIKeyCNFJMSSATKFUOM-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.03
Rot. Bonds4

About 5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 109278987) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is 5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID109278987
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=CN1CCN(c2cnc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)12-1-3-13(4-2-12)23-16(27)14-9-22-15(10-21-14)25-7-5-24(11-26)6-8-25/h1-4,9-11H,5-8H2,(H,23,27)
InChIKeyCNFJMSSATKFUOM-UHFFFAOYSA-N
XLogP2.03
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109279021
2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109254563
5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide
CID 109279236
N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109279005
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109278953
N-(2,4-dimethylphenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278943
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109278980
5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109289339
N-[(4-chlorophenyl)methyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278887
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278398
5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109279241
N-(4-tert-butylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367510

Frequently Asked Questions

What is the IUPAC name of 5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 109278987) is 5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is O=CN1CCN(c2cnc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)CC1.
What is the InChIKey of 5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is CNFJMSSATKFUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c18-17(19,20)12-1-3-13(4-2-12)23-16(27)14-9-22-15(10-21-14)25-7-5-24(11-26)6-8-25/h1-4,9-11H,5-8H2,(H,23,27).
What are the key properties of 5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109278987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).