tert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C20H21F3N4O3 — CID 170162485

IUPACtert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2nccnc2Oc2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C20H21F3N4O3/c1-19(2,3)30-18(28)27-10-6-13(7-11-27)16-17(25-9-8-24-16)29-14-4-5-15(26-12-14)20(21,22)23/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKeyKIVHPRFADLPKPI-UHFFFAOYSA-N
MW422.41 g/mol
LogP4.71
Rot. Bonds3

About tert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 170162485) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is tert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID170162485
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Nametert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2nccnc2Oc2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C20H21F3N4O3/c1-19(2,3)30-18(28)27-10-6-13(7-11-27)16-17(25-9-8-24-16)29-14-4-5-15(26-12-14)20(21,22)23/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKeyKIVHPRFADLPKPI-UHFFFAOYSA-N
XLogP4.71
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 18364827
tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 144594549
tert-butyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 167442337
tert-butyl 4-[4-(4-methylsulfonylphenoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 46199747
tert-butyl 4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170565077
tert-butyl 4-(2,5-dichloropyrimidin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171627326
tert-butyl 4-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58913408
tert-butyl 4-(5-bromopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 122482495
tert-butyl 4-pyrimidin-5-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 142573654
tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170340824
tert-butyl 4-quinazolin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 130378056
tert-butyl 4-[2-[(2R)-2-(5-chloro-2-pyridinyl)butan-2-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 178060347

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 170162485) is tert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(c2nccnc2Oc2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of tert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is KIVHPRFADLPKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-19(2,3)30-18(28)27-10-6-13(7-11-27)16-17(25-9-8-24-16)29-14-4-5-15(26-12-14)20(21,22)23/h4-6,8-9,12H,7,10-11H2,1-3H3.
What are the key properties of tert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 422.41 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 170162485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).