5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide

C19H19F3N4O3-2 — CID 159905049

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide
SMILESO=C([O-])c1cnc(C2CC2)c(OCC2CC2)n1.[NH-][C@@H](c1ccccn1)C(F)(F)F
InChIInChI=1S/C12H14N2O3.C7H6F3N2/c15-12(16)9-5-13-10(8-3-4-8)11(14-9)17-6-7-1-2-7;8-7(9,10)6(11)5-3-1-2-4-12-5/h5,7-8H,1-4,6H2,(H,15,16);1-4,6,11H/q;-1/p-1/t;6-/m.0/s1
InChIKeyNWLPVSRQHXZMIN-ZCMDIHMWSA-M
MW408.38 g/mol
LogP3.24
Rot. Bonds6

About 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide

5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide (PubChem CID 159905049) has the molecular formula C19H19F3N4O3-2 and a molecular weight of 408.38 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide
PubChem CID159905049
Molecular FormulaC19H19F3N4O3-2
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide
SMILESO=C([O-])c1cnc(C2CC2)c(OCC2CC2)n1.[NH-][C@@H](c1ccccn1)C(F)(F)F
InChIInChI=1S/C12H14N2O3.C7H6F3N2/c15-12(16)9-5-13-10(8-3-4-8)11(14-9)17-6-7-1-2-7;8-7(9,10)6(11)5-3-1-2-4-12-5/h5,7-8H,1-4,6H2,(H,15,16);1-4,6,11H/q;-1/p-1/t;6-/m.0/s1
InChIKeyNWLPVSRQHXZMIN-ZCMDIHMWSA-M
XLogP3.24
TPSA111.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide with MolForge

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Related Compounds

5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid ((S)-1-pyridin-2-yl-ethyl)-amide
CID 71525945
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid ((S)-2,2,2-trifluoro-1-pyridin-2-yl-ethyl)-amide
CID 71526034
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid (1,1-dimethyl-3-pyridin-4-yl-propyl)-amide
CID 71526313
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid (1,1-dimethyl-3-pyridin-4-yl-butyl)-amide
CID 71526315
5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 78098544
[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate
CID 122684626
Methyl 5-(1,1-difluoroethyl)-6-pyridin-2-yloxypyrazine-2-carboxylate
CID 177934934
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide
CID 159931518
5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine
CID 171924191
5-cyclopropyl-6-(cyclopropylmethoxy)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 78098509

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide (CID 159905049) is 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide is O=C([O-])c1cnc(C2CC2)c(OCC2CC2)n1.[NH-][C@@H](c1ccccn1)C(F)(F)F.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide?
The InChIKey is NWLPVSRQHXZMIN-ZCMDIHMWSA-M. The full InChI is InChI=1S/C12H14N2O3.C7H6F3N2/c15-12(16)9-5-13-10(8-3-4-8)11(14-9)17-6-7-1-2-7;8-7(9,10)6(11)5-3-1-2-4-12-5/h5,7-8H,1-4,6H2,(H,15,16);1-4,6,11H/q;-1/p-1/t;6-/m.0/s1.
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide?
5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide has a molecular weight of 408.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide is sourced from PubChem (CID 159905049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).