N-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid

C17H23F3N4O7S — CID 155869611

IUPACN-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@H](CNS(C)(=O)=O)[C@H]3C2)[nH]n1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N4O5S.C2HF3O2/c1-9(20)12-5-13(18-17-12)15(21)19-4-3-10-8-24-14(11(10)7-19)6-16-25(2,22)23;3-2(4,5)1(6)7/h5,10-11,14,16H,3-4,6-8H2,1-2H3,(H,17,18);(H,6,7)/t10-,11-,14+;/m0./s1
InChIKeyDVILKLZRNCSLKX-ZVACWDIYSA-N
MW484.45 g/mol
LogP0.27
Rot. Bonds5

About N-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid

N-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155869611) has the molecular formula C17H23F3N4O7S and a molecular weight of 484.45 g/mol. Its IUPAC name is N-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155869611
Molecular FormulaC17H23F3N4O7S
Molecular Weight484.45 g/mol
Exact Mass484.12
IUPAC NameN-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@H](CNS(C)(=O)=O)[C@H]3C2)[nH]n1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N4O5S.C2HF3O2/c1-9(20)12-5-13(18-17-12)15(21)19-4-3-10-8-24-14(11(10)7-19)6-16-25(2,22)23;3-2(4,5)1(6)7/h5,10-11,14,16H,3-4,6-8H2,1-2H3,(H,17,18);(H,6,7)/t10-,11-,14+;/m0./s1
InChIKeyDVILKLZRNCSLKX-ZVACWDIYSA-N
XLogP0.27
TPSA158.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.45
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;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 N-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 155869611) is N-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is CC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@H](CNS(C)(=O)=O)[C@H]3C2)[nH]n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is DVILKLZRNCSLKX-ZVACWDIYSA-N. The full InChI is InChI=1S/C15H22N4O5S.C2HF3O2/c1-9(20)12-5-13(18-17-12)15(21)19-4-3-10-8-24-14(11(10)7-19)6-16-25(2,22)23;3-2(4,5)1(6)7/h5,10-11,14,16H,3-4,6-8H2,1-2H3,(H,17,18);(H,6,7)/t10-,11-,14+;/m0./s1.
What are the key properties of N-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
N-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 484.45 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aR,7aR)-5-(3-acetyl-1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155869611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).