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

C21H29F3N4O4 — CID 155824237

IUPAC(2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(CC4CCC4)C[C@H]3O2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H28N4O2.C2HF3O2/c1-13-8-21-16(9-20-13)10-22-19(24)17-7-15-5-6-23(12-18(15)25-17)11-14-3-2-4-14;3-2(4,5)1(6)7/h8-9,14-15,17-18H,2-7,10-12H2,1H3,(H,22,24);(H,6,7)/t15-,17+,18+;/m0./s1
InChIKeyNJYBSRXABRMFLT-FLCXFYETSA-N
MW458.48 g/mol
LogP2.31
Rot. Bonds5

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

(2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155824237) has the molecular formula C21H29F3N4O4 and a molecular weight of 458.48 g/mol. Its IUPAC name is (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155824237
Molecular FormulaC21H29F3N4O4
Molecular Weight458.48 g/mol
Exact Mass458.21
IUPAC Name(2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(CC4CCC4)C[C@H]3O2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H28N4O2.C2HF3O2/c1-13-8-21-16(9-20-13)10-22-19(24)17-7-15-5-6-23(12-18(15)25-17)11-14-3-2-4-14;3-2(4,5)1(6)7/h8-9,14-15,17-18H,2-7,10-12H2,1H3,(H,22,24);(H,6,7)/t15-,17+,18+;/m0./s1
InChIKeyNJYBSRXABRMFLT-FLCXFYETSA-N
XLogP2.31
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[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 131689390
CID 131689390
CID 155837006
CID 155837006
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
CID 97366570
CID 97366570
CID 97366571
CID 97366571
CID 97366780
CID 97366780

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155824237) is (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(CC4CCC4)C[C@H]3O2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NJYBSRXABRMFLT-FLCXFYETSA-N. The full InChI is InChI=1S/C19H28N4O2.C2HF3O2/c1-13-8-21-16(9-20-13)10-22-19(24)17-7-15-5-6-23(12-18(15)25-17)11-14-3-2-4-14;3-2(4,5)1(6)7/h8-9,14-15,17-18H,2-7,10-12H2,1H3,(H,22,24);(H,6,7)/t15-,17+,18+;/m0./s1.
What are the key properties of (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
(2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 458.48 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155824237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).