[1-(2,7,8-trichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate

C16H18Cl3N5O2 — CID 142769689

IUPAC[1-(2,7,8-trichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate
SMILESCN(C(=O)OC1CN(c2nc3ncc(Cl)c(Cl)c3nc2Cl)C1)C(C)(C)C
InChIInChI=1S/C16H18Cl3N5O2/c1-16(2,3)23(4)15(25)26-8-6-24(7-8)14-12(19)21-11-10(18)9(17)5-20-13(11)22-14/h5,8H,6-7H2,1-4H3
InChIKeyULUWYVMSUZWMRS-UHFFFAOYSA-N
MW418.71 g/mol
LogP4.04
Rot. Bonds2

About [1-(2,7,8-trichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate

[1-(2,7,8-trichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate (PubChem CID 142769689) has the molecular formula C16H18Cl3N5O2 and a molecular weight of 418.71 g/mol. Its IUPAC name is [1-(2,7,8-trichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate.

Molecular Properties

Compound Name[1-(2,7,8-trichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate
PubChem CID142769689
Molecular FormulaC16H18Cl3N5O2
Molecular Weight418.71 g/mol
Exact Mass417.05
IUPAC Name[1-(2,7,8-trichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate
SMILESCN(C(=O)OC1CN(c2nc3ncc(Cl)c(Cl)c3nc2Cl)C1)C(C)(C)C
InChIInChI=1S/C16H18Cl3N5O2/c1-16(2,3)23(4)15(25)26-8-6-24(7-8)14-12(19)21-11-10(18)9(17)5-20-13(11)22-14/h5,8H,6-7H2,1-4H3
InChIKeyULUWYVMSUZWMRS-UHFFFAOYSA-N
XLogP4.04
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.71
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-chloro-7-nitropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate
CID 142769671
[1-(12-chloro-2,3,4,5,8,10-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate
CID 142769693
tert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate
CID 131741448
[(3R)-1-(12-bromo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)pyrrolidin-3-yl] N-tert-butyl-N-methylcarbamate
CID 142769687
tert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate
CID 131741468
[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
CID 89477527
[1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
CID 89477531
tert-butyl N-[(3R)-1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 131741485
[1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate
CID 54562997
tert-butyl N-[1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)-3-methylazetidin-3-yl]-N-methylcarbamate
CID 131741482
[1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-4-fluoropyrrolidin-3-yl] N-tert-butyl-N-methylcarbamate
CID 91262559
tert-butyl N-[1-(2,7-dichloro-1-methylpyrido[3,2-d]pyrimidin-1-ium-4-yl)azetidin-3-yl]-N-methylcarbamate
CID 123852506

Frequently Asked Questions

What is the IUPAC name of [1-(2,7,8-trichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate?
The IUPAC name of [1-(2,7,8-trichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate (CID 142769689) is [1-(2,7,8-trichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate.
What is the SMILES notation for [1-(2,7,8-trichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate?
The canonical SMILES for [1-(2,7,8-trichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate is CN(C(=O)OC1CN(c2nc3ncc(Cl)c(Cl)c3nc2Cl)C1)C(C)(C)C.
What is the InChIKey of [1-(2,7,8-trichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate?
The InChIKey is ULUWYVMSUZWMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl3N5O2/c1-16(2,3)23(4)15(25)26-8-6-24(7-8)14-12(19)21-11-10(18)9(17)5-20-13(11)22-14/h5,8H,6-7H2,1-4H3.
What are the key properties of [1-(2,7,8-trichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate?
[1-(2,7,8-trichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate has a molecular weight of 418.71 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,7,8-trichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl] N-tert-butyl-N-methylcarbamate is sourced from PubChem (CID 142769689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).