tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate

C17H24BrN7O2 — CID 131741486

IUPACtert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nc3ncc(Br)cc3nc2NN)C1
InChIInChI=1S/C17H24BrN7O2/c1-17(2,3)27-16(26)24(4)11-5-6-25(9-11)15-14(23-19)21-12-7-10(18)8-20-13(12)22-15/h7-8,11H,5-6,9,19H2,1-4H3,(H,21,23)/t11-/m1/s1
InChIKeyRJYUCTQAYYHKHV-LLVKDONJSA-N
MW438.33 g/mol
LogP2.52
Rot. Bonds3

About tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate

tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate (PubChem CID 131741486) has the molecular formula C17H24BrN7O2 and a molecular weight of 438.33 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate
PubChem CID131741486
Molecular FormulaC17H24BrN7O2
Molecular Weight438.33 g/mol
Exact Mass437.12
IUPAC Nametert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nc3ncc(Br)cc3nc2NN)C1
InChIInChI=1S/C17H24BrN7O2/c1-17(2,3)27-16(26)24(4)11-5-6-25(9-11)15-14(23-19)21-12-7-10(18)8-20-13(12)22-15/h7-8,11H,5-6,9,19H2,1-4H3,(H,21,23)/t11-/m1/s1
InChIKeyRJYUCTQAYYHKHV-LLVKDONJSA-N
XLogP2.52
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate 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 N-[(3R)-1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 131741485
tert-butyl N-[1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)-3-methylazetidin-3-yl]-N-methylcarbamate
CID 131741483
tert-butyl N-[(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-methylcarbamate
CID 131741487
tert-butyl N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 140914655
tert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate
CID 131741448
[1-[7-bromo-2-(2-hydroxyethylamino)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid
CID 89477584
[1-(2-hydrazinyl-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
CID 89477554
[1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid
CID 89477503
tert-butyl N-[1-(7-chloro-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]carbamate
CID 131741443
tert-butyl N-[1-[5-bromo-3-(methanesulfonamido)-2-pyridinyl]azetidin-3-yl]-N-methylcarbamate
CID 146211819
tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 155287402
tert-butyl N-[1-[2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-N-methylcarbamate
CID 131741468

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate (CID 131741486) is tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nc3ncc(Br)cc3nc2NN)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate?
The InChIKey is RJYUCTQAYYHKHV-LLVKDONJSA-N. The full InChI is InChI=1S/C17H24BrN7O2/c1-17(2,3)27-16(26)24(4)11-5-6-25(9-11)15-14(23-19)21-12-7-10(18)8-20-13(12)22-15/h7-8,11H,5-6,9,19H2,1-4H3,(H,21,23)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate?
tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate has a molecular weight of 438.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 131741486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).