methyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate

C15H16ClF2N5O2 — CID 171063408

IUPACmethyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(C2CC2)nc1Nc1cn(CC(F)F)nc1C
InChIInChI=1S/C15H16ClF2N5O2/c1-7-9(5-23(22-7)6-10(17)18)19-14-12(15(24)25-2)20-13(16)11(21-14)8-3-4-8/h5,8,10H,3-4,6H2,1-2H3,(H,19,21)
InChIKeyUSXFYCWBGXEEMH-UHFFFAOYSA-N
MW371.78 g/mol
LogP3.31
Rot. Bonds6

About methyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate

methyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate (PubChem CID 171063408) has the molecular formula C15H16ClF2N5O2 and a molecular weight of 371.78 g/mol. Its IUPAC name is methyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate
PubChem CID171063408
Molecular FormulaC15H16ClF2N5O2
Molecular Weight371.78 g/mol
Exact Mass371.10
IUPAC Namemethyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(C2CC2)nc1Nc1cn(CC(F)F)nc1C
InChIInChI=1S/C15H16ClF2N5O2/c1-7-9(5-23(22-7)6-10(17)18)19-14-12(15(24)25-2)20-13(16)11(21-14)8-3-4-8/h5,8,10H,3-4,6H2,1-2H3,(H,19,21)
InChIKeyUSXFYCWBGXEEMH-UHFFFAOYSA-N
XLogP3.31
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate (CID 171063408) is methyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate is COC(=O)c1nc(Cl)c(C2CC2)nc1Nc1cn(CC(F)F)nc1C.
What is the InChIKey of methyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate?
The InChIKey is USXFYCWBGXEEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N5O2/c1-7-9(5-23(22-7)6-10(17)18)19-14-12(15(24)25-2)20-13(16)11(21-14)8-3-4-8/h5,8,10H,3-4,6H2,1-2H3,(H,19,21).
What are the key properties of methyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate?
methyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate has a molecular weight of 371.78 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-5-cyclopropyl-3-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrazine-2-carboxylate is sourced from PubChem (CID 171063408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).