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

C16H19Cl2N5O2 — CID 131741448

IUPACtert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CN(c2nc3ncc(Cl)cc3nc2Cl)C1
InChIInChI=1S/C16H19Cl2N5O2/c1-16(2,3)25-15(24)22(4)10-7-23(8-10)14-12(18)20-11-5-9(17)6-19-13(11)21-14/h5-6,10H,7-8H2,1-4H3
InChIKeyVPCQXELZSOLEPZ-UHFFFAOYSA-N
MW384.27 g/mol
LogP3.39
Rot. Bonds2

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

tert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate (PubChem CID 131741448) has the molecular formula C16H19Cl2N5O2 and a molecular weight of 384.27 g/mol. Its IUPAC name is tert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate
PubChem CID131741448
Molecular FormulaC16H19Cl2N5O2
Molecular Weight384.27 g/mol
Exact Mass383.09
IUPAC Nametert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CN(c2nc3ncc(Cl)cc3nc2Cl)C1
InChIInChI=1S/C16H19Cl2N5O2/c1-16(2,3)25-15(24)22(4)10-7-23(8-10)14-12(18)20-11-5-9(17)6-19-13(11)21-14/h5-6,10H,7-8H2,1-4H3
InChIKeyVPCQXELZSOLEPZ-UHFFFAOYSA-N
XLogP3.39
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate (CID 131741448) is tert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CN(c2nc3ncc(Cl)cc3nc2Cl)C1.
What is the InChIKey of tert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate?
The InChIKey is VPCQXELZSOLEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O2/c1-16(2,3)25-15(24)22(4)10-7-23(8-10)14-12(18)20-11-5-9(17)6-19-13(11)21-14/h5-6,10H,7-8H2,1-4H3.
What are the key properties of tert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate?
tert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate has a molecular weight of 384.27 g/mol, XLogP of 3.39, 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-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 131741448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).