tert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate

C17H19ClF3N5O2 — CID 131741468

IUPACtert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CN(c2nc3ncc(C(F)(F)F)cc3nc2Cl)C1
InChIInChI=1S/C17H19ClF3N5O2/c1-16(2,3)28-15(27)25(4)10-7-26(8-10)14-12(18)23-11-5-9(17(19,20)21)6-22-13(11)24-14/h5-6,10H,7-8H2,1-4H3
InChIKeyCZTTTZRZVQHMTE-UHFFFAOYSA-N
MW417.82 g/mol
LogP3.75
Rot. Bonds2

About tert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate

tert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate (PubChem CID 131741468) has the molecular formula C17H19ClF3N5O2 and a molecular weight of 417.82 g/mol. Its IUPAC name is tert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate
PubChem CID131741468
Molecular FormulaC17H19ClF3N5O2
Molecular Weight417.82 g/mol
Exact Mass417.12
IUPAC Nametert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CN(c2nc3ncc(C(F)(F)F)cc3nc2Cl)C1
InChIInChI=1S/C17H19ClF3N5O2/c1-16(2,3)28-15(27)25(4)10-7-26(8-10)14-12(18)23-11-5-9(17(19,20)21)6-22-13(11)24-14/h5-6,10H,7-8H2,1-4H3
InChIKeyCZTTTZRZVQHMTE-UHFFFAOYSA-N
XLogP3.75
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.82
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate
CID 131741448
tert-butyl N-[(3R)-1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 131741485
[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
CID 89477527
[1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid
CID 89477503
[1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
CID 89477531
tert-butyl N-[1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)-3-methylazetidin-3-yl]-N-methylcarbamate
CID 131741482
tert-butyl N-[1-(2,7-dichloro-1-methylpyrido[3,2-d]pyrimidin-1-ium-4-yl)azetidin-3-yl]-N-methylcarbamate
CID 123852506
tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 131741486
[1-(2-chloro-7-nitropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate
CID 142769671
tert-butyl N-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate;2,2,2-trifluoroacetic acid
CID 162309067
tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate
CID 66805338
tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 97166895

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate (CID 131741468) is tert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CN(c2nc3ncc(C(F)(F)F)cc3nc2Cl)C1.
What is the InChIKey of tert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate?
The InChIKey is CZTTTZRZVQHMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF3N5O2/c1-16(2,3)28-15(27)25(4)10-7-26(8-10)14-12(18)23-11-5-9(17(19,20)21)6-22-13(11)24-14/h5-6,10H,7-8H2,1-4H3.
What are the key properties of tert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate?
tert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate has a molecular weight of 417.82 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 131741468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).