(3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid

C16H21F3N4O4 — CID 127021281

IUPAC(3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCNC3)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4O2.C2HF3O2/c1-10-6-17-11(7-16-10)8-18-13(19)14-3-5-20-12(14)2-4-15-9-14;3-2(4,5)1(6)7/h6-7,12,15H,2-5,8-9H2,1H3,(H,18,19);(H,6,7)/t12-,14-;/m1./s1
InChIKeyFPOYIMZXUCFWRJ-QMDUSEKHSA-N
MW390.36 g/mol
LogP0.80
Rot. Bonds3

About (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid

(3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 127021281) has the molecular formula C16H21F3N4O4 and a molecular weight of 390.36 g/mol. Its IUPAC name is (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID127021281
Molecular FormulaC16H21F3N4O4
Molecular Weight390.36 g/mol
Exact Mass390.15
IUPAC Name(3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCNC3)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4O2.C2HF3O2/c1-10-6-17-11(7-16-10)8-18-13(19)14-3-5-20-12(14)2-4-15-9-14;3-2(4,5)1(6)7/h6-7,12,15H,2-5,8-9H2,1H3,(H,18,19);(H,6,7)/t12-,14-;/m1./s1
InChIKeyFPOYIMZXUCFWRJ-QMDUSEKHSA-N
XLogP0.80
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid (CID 127021281) is (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid is Cc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCNC3)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FPOYIMZXUCFWRJ-QMDUSEKHSA-N. The full InChI is InChI=1S/C14H20N4O2.C2HF3O2/c1-10-6-17-11(7-16-10)8-18-13(19)14-3-5-20-12(14)2-4-15-9-14;3-2(4,5)1(6)7/h6-7,12,15H,2-5,8-9H2,1H3,(H,18,19);(H,6,7)/t12-,14-;/m1./s1.
What are the key properties of (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid?
(3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 390.36 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 127021281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).