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

C17H22ClN5O2 — CID 131741464

IUPACtert-butyl N-[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate
SMILESCc1cnc2nc(N3CC(N(C)C(=O)OC(C)(C)C)C3)c(Cl)nc2c1
InChIInChI=1S/C17H22ClN5O2/c1-10-6-12-14(19-7-10)21-15(13(18)20-12)23-8-11(9-23)22(5)16(24)25-17(2,3)4/h6-7,11H,8-9H2,1-5H3
InChIKeyCBOVWLAKYZDFFN-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.04
Rot. Bonds2

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

tert-butyl N-[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate (PubChem CID 131741464) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is tert-butyl N-[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate
PubChem CID131741464
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC Nametert-butyl N-[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate
SMILESCc1cnc2nc(N3CC(N(C)C(=O)OC(C)(C)C)C3)c(Cl)nc2c1
InChIInChI=1S/C17H22ClN5O2/c1-10-6-12-14(19-7-10)21-15(13(18)20-12)23-8-11(9-23)22(5)16(24)25-17(2,3)4/h6-7,11H,8-9H2,1-5H3
InChIKeyCBOVWLAKYZDFFN-UHFFFAOYSA-N
XLogP3.04
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-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 4-(3-(1-(quinolin-2-yl)azetidin-3-yl)pyrazin-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate
CID 58546905
Tert-butyl methyl(1-(3-(1-(quinolin-2-yl)azetidin-3-yl)pyrazin-2-yl)pyrrolidin-3-yl)carbamate
CID 58547135
tert-butyl 4-{2-methyl-1H-imidazo[4,5-b]pyridin-1-yl}piperidine-1-carboxylate
CID 66545134
tert-Butyl 4-(quinoxalin-2-yl)piperazine-1-carboxylate
CID 25070624
4-(6-Fluoro-4-pyrido[3,4-d]pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester
CID 11393449
tert-Butyl 4-(1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 23562593
[1-[2-Chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid
CID 89477450
Tert-butyl methyl(1-(8-(trifluoromethyl)pyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-4-yl)azetidin-3-yl)carbamate
CID 89477496
Tert-butyl (1-(8-(difluoromethyl)pyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-4-yl)azetidin-3-yl)(methyl)carbamate
CID 131741467
Tert-butyl (1-(2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl)(methyl)carbamate
CID 131741468
Tert-butyl (1-(2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl)(methyl)carbamate
CID 131741469
tert-butyl N-[2-(5-fluoro-3-pyridinyl)-4-methylpyrimidin-5-yl]-N-methylcarbamate
CID 138490617

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate (CID 131741464) is tert-butyl N-[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate is Cc1cnc2nc(N3CC(N(C)C(=O)OC(C)(C)C)C3)c(Cl)nc2c1.
What is the InChIKey of tert-butyl N-[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate?
The InChIKey is CBOVWLAKYZDFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c1-10-6-12-14(19-7-10)21-15(13(18)20-12)23-8-11(9-23)22(5)16(24)25-17(2,3)4/h6-7,11H,8-9H2,1-5H3.
What are the key properties of tert-butyl N-[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate?
tert-butyl N-[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate has a molecular weight of 363.85 g/mol, XLogP of 3.04, 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-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 131741464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).