ethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate

C16H16ClF3N4O2 — CID 10572385

IUPACethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C(F)(F)F)c3ccc(Cl)nc3n2)CC1
InChIInChI=1S/C16H16ClF3N4O2/c1-2-26-15(25)24-7-5-23(6-8-24)13-9-11(16(18,19)20)10-3-4-12(17)21-14(10)22-13/h3-4,9H,2,5-8H2,1H3
InChIKeyHHEZQZCZLFPNCQ-UHFFFAOYSA-N
MW388.78 g/mol
LogP3.58
Rot. Bonds2

About ethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate

ethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate (PubChem CID 10572385) has the molecular formula C16H16ClF3N4O2 and a molecular weight of 388.78 g/mol. Its IUPAC name is ethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate
PubChem CID10572385
Molecular FormulaC16H16ClF3N4O2
Molecular Weight388.78 g/mol
Exact Mass388.09
IUPAC Nameethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C(F)(F)F)c3ccc(Cl)nc3n2)CC1
InChIInChI=1S/C16H16ClF3N4O2/c1-2-26-15(25)24-7-5-23(6-8-24)13-9-11(16(18,19)20)10-3-4-12(17)21-14(10)22-13/h3-4,9H,2,5-8H2,1H3
InChIKeyHHEZQZCZLFPNCQ-UHFFFAOYSA-N
XLogP3.58
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[7-oxo-4-(trifluoromethyl)-8H-1,8-naphthyridin-2-yl]piperazine-1-carboxylate
CID 11793497
ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 1481937
ethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 2747411
ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 107877548
ethyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 159823344
ethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate
CID 86633459
ethyl 4-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112870858
ethyl 4-(5-bromo-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 103915053
ethyl 4-[6-(trifluoromethyl)cyclohepta[d]imidazol-2-yl]piperazine-1-carboxylate
CID 54568628
ethyl 4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 155980463
ethyl 4-[6-(2,6-difluoroanilino)-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112875319
ethyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate
CID 114011878

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate (CID 10572385) is ethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(C(F)(F)F)c3ccc(Cl)nc3n2)CC1.
What is the InChIKey of ethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate?
The InChIKey is HHEZQZCZLFPNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O2/c1-2-26-15(25)24-7-5-23(6-8-24)13-9-11(16(18,19)20)10-3-4-12(17)21-14(10)22-13/h3-4,9H,2,5-8H2,1H3.
What are the key properties of ethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate?
ethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate has a molecular weight of 388.78 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[7-chloro-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 10572385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).