methyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate

C22H25N3O4 — CID 170182475

IUPACmethyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate
SMILESCCOc1c(Nc2ncc(C3CC3)nc2C(=O)OC)cccc1C1=CCOCC1
InChIInChI=1S/C22H25N3O4/c1-3-29-20-16(14-9-11-28-12-10-14)5-4-6-17(20)25-21-19(22(26)27-2)24-18(13-23-21)15-7-8-15/h4-6,9,13,15H,3,7-8,10-12H2,1-2H3,(H,23,25)
InChIKeyTURQMMZRUYVNNU-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.09
Rot. Bonds7

About methyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate

methyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate (PubChem CID 170182475) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is methyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate
PubChem CID170182475
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Namemethyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate
SMILESCCOc1c(Nc2ncc(C3CC3)nc2C(=O)OC)cccc1C1=CCOCC1
InChIInChI=1S/C22H25N3O4/c1-3-29-20-16(14-9-11-28-12-10-14)5-4-6-17(20)25-21-19(22(26)27-2)24-18(13-23-21)15-7-8-15/h4-6,9,13,15H,3,7-8,10-12H2,1-2H3,(H,23,25)
InChIKeyTURQMMZRUYVNNU-UHFFFAOYSA-N
XLogP4.09
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate with MolForge

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Related Compounds

methyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate
CID 170182461
1-[6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(1,2,2-trifluoroethoxy)anilino]pyrazin-2-yl]ethanone
CID 175526009
tert-butyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyanilino]pyrazine-2-carboxylate
CID 170182534
6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(1,2,2-trifluoroethoxy)anilino]-N-methylsulfonylpyrazine-2-carboxamide
CID 175526006
methyl 6-cyclopropyl-3-[3-(5-methyl-3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)anilino]pyrazine-2-carboxylate
CID 156732849
6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)anilino]pyrazine-2-carbaldehyde
CID 162688586
methyl 2-cyclopropyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)anilino]pyridine-4-carboxylate
CID 170182553
5-cyclopropyl-N-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazin-2-amine
CID 170182527
methyl 3-[3-chloro-2-(1,2,2-trifluoroethoxy)anilino]-6-cyclopropylpyrazine-2-carboxylate
CID 175526003
3-[[2-amino-5-(3,6-dihydro-2H-pyran-4-yl)-6-ethoxy-3-fluorophenyl]methyl]-6-cyclopropylpyrazine-2-carboxylic acid
CID 167563346
6-cyclopropyl-3-[2-(hydroxymethoxy)-3-(oxan-4-yl)anilino]pyrazine-2-carboxylic acid
CID 170182505
3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyphenyl]methyl]-6-propan-2-ylpyrazine-2-carboxylic acid
CID 167590624

Frequently Asked Questions

What is the IUPAC name of methyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate (CID 170182475) is methyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate is CCOc1c(Nc2ncc(C3CC3)nc2C(=O)OC)cccc1C1=CCOCC1.
What is the InChIKey of methyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate?
The InChIKey is TURQMMZRUYVNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-29-20-16(14-9-11-28-12-10-14)5-4-6-17(20)25-21-19(22(26)27-2)24-18(13-23-21)15-7-8-15/h4-6,9,13,15H,3,7-8,10-12H2,1-2H3,(H,23,25).
What are the key properties of methyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate?
methyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate is sourced from PubChem (CID 170182475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).