tert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C22H25N5O2 — CID 121409563

IUPACtert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCn1cc(-c2cnc3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)cc3n2)cn1
InChIInChI=1S/C22H25N5O2/c1-22(2,3)29-21(28)27-9-7-15(8-10-27)16-5-6-18-19(11-16)25-20(13-23-18)17-12-24-26(4)14-17/h5-7,11-14H,8-10H2,1-4H3
InChIKeyQEHFLGDIJJDGIQ-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.05
Rot. Bonds2

About tert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 121409563) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is tert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID121409563
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Nametert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCn1cc(-c2cnc3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)cc3n2)cn1
InChIInChI=1S/C22H25N5O2/c1-22(2,3)29-21(28)27-9-7-15(8-10-27)16-5-6-18-19(11-16)25-20(13-23-18)17-12-24-26(4)14-17/h5-7,11-14H,8-10H2,1-4H3
InChIKeyQEHFLGDIJJDGIQ-UHFFFAOYSA-N
XLogP4.05
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 141422344
tert-butyl 4-(6-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154620521
tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 144594549
tert-butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53415310
tert-butyl 4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 168797668
tert-butyl 4-[1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121273746
tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 137357476
tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene
CID 166116770
tert-butyl 5-methyl-9-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-4-(1-methylpyrazol-4-yl)-5H-pyrido[3,2-c][1,5]benzoxazepine-11-carboxylate
CID 165114901
tert-butyl 4-[3-amino-4-[(Z)-2-amino-2-(2-methylindazol-5-yl)ethenyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 142492313
tert-butyl 4-[4-(2,2-dibromoethenyl)-3-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 134362502
tert-butyl 4-pyrimidin-5-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 142573654

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 121409563) is tert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is Cn1cc(-c2cnc3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)cc3n2)cn1.
What is the InChIKey of tert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is QEHFLGDIJJDGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-22(2,3)29-21(28)27-9-7-15(8-10-27)16-5-6-18-19(11-16)25-20(13-23-18)17-12-24-26(4)14-17/h5-7,11-14H,8-10H2,1-4H3.
What are the key properties of tert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 391.48 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 121409563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).