3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid

C16H14F3N5O3 — CID 2809928

IUPAC3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H14F3N5O3/c17-16(18,19)10-1-2-11(22-9-10)23-5-7-24(8-6-23)14(25)12-13(15(26)27)21-4-3-20-12/h1-4,9H,5-8H2,(H,26,27)
InChIKeyAOWOFTGCICBUAQ-UHFFFAOYSA-N
MW381.31 g/mol
LogP1.55
Rot. Bonds3

About 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid

3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid (PubChem CID 2809928) has the molecular formula C16H14F3N5O3 and a molecular weight of 381.31 g/mol. Its IUPAC name is 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid
PubChem CID2809928
Molecular FormulaC16H14F3N5O3
Molecular Weight381.31 g/mol
Exact Mass381.10
IUPAC Name3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H14F3N5O3/c17-16(18,19)10-1-2-11(22-9-10)23-5-7-24(8-6-23)14(25)12-13(15(26)27)21-4-3-20-12/h1-4,9H,5-8H2,(H,26,27)
InChIKeyAOWOFTGCICBUAQ-UHFFFAOYSA-N
XLogP1.55
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid (CID 2809928) is 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid?
The InChIKey is AOWOFTGCICBUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O3/c17-16(18,19)10-1-2-11(22-9-10)23-5-7-24(8-6-23)14(25)12-13(15(26)27)21-4-3-20-12/h1-4,9H,5-8H2,(H,26,27).
What are the key properties of 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid?
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid has a molecular weight of 381.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 2809928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).