5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine

C19H21F3N4O3 — CID 171924191

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine
SMILESN[C@@H](c1ccccn1)C(F)(F)F.O=C(O)c1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C12H14N2O3.C7H7F3N2/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);1-4,6H,11H2/t;6-/m.0/s1
InChIKeyZBLDHERDEXIWFY-ZCMDIHMWSA-N
MW410.40 g/mol
LogP3.48
Rot. Bonds6

About 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine

5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine (PubChem CID 171924191) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine
PubChem CID171924191
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine
SMILESN[C@@H](c1ccccn1)C(F)(F)F.O=C(O)c1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C12H14N2O3.C7H7F3N2/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);1-4,6H,11H2/t;6-/m.0/s1
InChIKeyZBLDHERDEXIWFY-ZCMDIHMWSA-N
XLogP3.48
TPSA111.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine 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
6-(4-Fluoro-phenyl)-5-cyclopropylmethoxy-pyrazine-2-carboxylic acid
CID 67504783
6-(4-Fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid
CID 67504981
5-Butoxy-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 67505067
5-(Cyclopropylmethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 67505083
5-(Cyclopentylmethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 68799357
6-(4-Fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxylic acid
CID 68801927
5-(3-Methylbutoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 68802078
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
5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylate;[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]azanide
CID 159905049

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine (CID 171924191) is 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine is N[C@@H](c1ccccn1)C(F)(F)F.O=C(O)c1cnc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine?
The InChIKey is ZBLDHERDEXIWFY-ZCMDIHMWSA-N. The full InChI is InChI=1S/C12H14N2O3.C7H7F3N2/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);1-4,6H,11H2/t;6-/m.0/s1.
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine?
5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine has a molecular weight of 410.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid;(1S)-2,2,2-trifluoro-1-pyridin-2-ylethanamine is sourced from PubChem (CID 171924191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).