(2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C16H21F3N4O4 — CID 155837006

IUPAC(2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cnc(CNC(=O)[C@H]2C[C@@H]3CCNC[C@H]3O2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4O2.C2HF3O2/c1-9-5-17-11(6-16-9)7-18-14(19)12-4-10-2-3-15-8-13(10)20-12;3-2(4,5)1(6)7/h5-6,10,12-13,15H,2-4,7-8H2,1H3,(H,18,19);(H,6,7)/t10-,12+,13+;/m0./s1
InChIKeyUZNIRZVCYBVRLZ-JJZGMWGRSA-N
MW390.36 g/mol
LogP0.80
Rot. Bonds3

About (2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

(2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155837006) has the molecular formula C16H21F3N4O4 and a molecular weight of 390.36 g/mol. Its IUPAC name is (2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155837006
Molecular FormulaC16H21F3N4O4
Molecular Weight390.36 g/mol
Exact Mass390.15
IUPAC Name(2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cnc(CNC(=O)[C@H]2C[C@@H]3CCNC[C@H]3O2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4O2.C2HF3O2/c1-9-5-17-11(6-16-9)7-18-14(19)12-4-10-2-3-15-8-13(10)20-12;3-2(4,5)1(6)7/h5-6,10,12-13,15H,2-4,7-8H2,1H3,(H,18,19);(H,6,7)/t10-,12+,13+;/m0./s1
InChIKeyUZNIRZVCYBVRLZ-JJZGMWGRSA-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 (2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-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

Related Compounds

CID 127021281
CID 127021281
CID 131689390
CID 131689390
CID 155824237
CID 155824237
CID 155825703
CID 155825703
CID 155839508
CID 155839508
CID 155840303
CID 155840303
CID 155841137
CID 155841137
CID 155848627
CID 155848627
CID 155850097
CID 155850097
CID 155852328
CID 155852328
CID 97366567
CID 97366567
CID 97366569
CID 97366569

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155837006) is (2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1cnc(CNC(=O)[C@H]2C[C@@H]3CCNC[C@H]3O2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UZNIRZVCYBVRLZ-JJZGMWGRSA-N. The full InChI is InChI=1S/C14H20N4O2.C2HF3O2/c1-9-5-17-11(6-16-9)7-18-14(19)12-4-10-2-3-15-8-13(10)20-12;3-2(4,5)1(6)7/h5-6,10,12-13,15H,2-4,7-8H2,1H3,(H,18,19);(H,6,7)/t10-,12+,13+;/m0./s1.
What are the key properties of (2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
(2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-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 (2R,3aS,7aS)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155837006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).