tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane

C20H30N4O3 — CID 176552618

IUPACtert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane
SMILESCC.Cc1cnc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)[nH]c2n1
InChIInChI=1S/C18H24N4O3.C2H6/c1-11-10-19-14-9-13(16(23)21-15(14)20-11)12-5-7-22(8-6-12)17(24)25-18(2,3)4;1-2/h9-10,12H,5-8H2,1-4H3,(H,20,21,23);1-2H3
InChIKeyXQWRSXCUDPCYCG-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.77
Rot. Bonds1

About tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane

tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane (PubChem CID 176552618) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane
PubChem CID176552618
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Nametert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane
SMILESCC.Cc1cnc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)[nH]c2n1
InChIInChI=1S/C18H24N4O3.C2H6/c1-11-10-19-14-9-13(16(23)21-15(14)20-11)12-5-7-22(8-6-12)17(24)25-18(2,3)4;1-2/h9-10,12H,5-8H2,1-4H3,(H,20,21,23);1-2H3
InChIKeyXQWRSXCUDPCYCG-UHFFFAOYSA-N
XLogP3.77
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane with MolForge

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Related Compounds

tert-butyl 4-(4-oxo-3-azatricyclo[6.2.1.02,7]undeca-2(7),5-dien-5-yl)piperidine-1-carboxylate
CID 172562854
tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate
CID 59505000
tert-butyl 4-(2,5-dimethyl-1H-imidazol-4-yl)piperidine-1-carboxylate
CID 89492306
tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate
CID 166066269
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009
tert-butyl 4-[(2-methyl-3H-benzimidazol-5-yl)amino]piperidine-1-carboxylate
CID 113223911
tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate
CID 135135114
tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
CID 164662482
tert-butyl 4-(6-cyclopropyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 58548451
tert-butyl 4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate
CID 137307991
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane (CID 176552618) is tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane is CC.Cc1cnc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)[nH]c2n1.
What is the InChIKey of tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane?
The InChIKey is XQWRSXCUDPCYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.C2H6/c1-11-10-19-14-9-13(16(23)21-15(14)20-11)12-5-7-22(8-6-12)17(24)25-18(2,3)4;1-2/h9-10,12H,5-8H2,1-4H3,(H,20,21,23);1-2H3.
What are the key properties of tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane?
tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane has a molecular weight of 374.49 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane is sourced from PubChem (CID 176552618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).