tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate

C26H32N4O3 — CID 171085766

IUPACtert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate
SMILESCOc1cc(C)cc(C)c1-c1ccc2ncc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2n1
InChIInChI=1S/C26H32N4O3/c1-16-12-17(2)23(22(13-16)32-6)19-9-10-20-24(28-19)29-21(14-27-20)18-8-7-11-30(15-18)25(31)33-26(3,4)5/h9-10,12-14,18H,7-8,11,15H2,1-6H3
InChIKeyWKNYOIALMSFKMS-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.43
Rot. Bonds3

About tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate

tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate (PubChem CID 171085766) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate
PubChem CID171085766
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Nametert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate
SMILESCOc1cc(C)cc(C)c1-c1ccc2ncc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2n1
InChIInChI=1S/C26H32N4O3/c1-16-12-17(2)23(22(13-16)32-6)19-9-10-20-24(28-19)29-21(14-27-20)18-8-7-11-30(15-18)25(31)33-26(3,4)5/h9-10,12-14,18H,7-8,11,15H2,1-6H3
InChIKeyWKNYOIALMSFKMS-UHFFFAOYSA-N
XLogP5.43
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate
CID 171085704
tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-3-methyl-4-oxopyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carboxylate
CID 171085754
tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate
CID 171085746
tert-butyl 4-hydroxy-3-[7-(2-methoxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]piperidine-1-carboxylate
CID 171085626
tert-butyl 4-[7-(2-methoxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]-2,3-dihydropyrrole-1-carboxylate
CID 171085455
2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine
CID 171085659
7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine
CID 171085518
5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol
CID 171085866
tert-butyl 3-[7-fluoro-6-(4-methylphenyl)sulfonyloxypyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate
CID 171085827
tert-butyl 5-[7-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,8-naphthyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171085808
tert-butyl 3-[6-[2-(methoxymethoxy)-4,6-dimethylphenyl]pyridazine-3-carbonyl]piperidine-1-carboxylate
CID 170226436
6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine
CID 171085802

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate (CID 171085766) is tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate is COc1cc(C)cc(C)c1-c1ccc2ncc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2n1.
What is the InChIKey of tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate?
The InChIKey is WKNYOIALMSFKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-16-12-17(2)23(22(13-16)32-6)19-9-10-20-24(28-19)29-21(14-27-20)18-8-7-11-30(15-18)25(31)33-26(3,4)5/h9-10,12-14,18H,7-8,11,15H2,1-6H3.
What are the key properties of tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate?
tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate has a molecular weight of 448.57 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 171085766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).