triazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate

C20H16F4N6O5 — CID 134303034

IUPACtriazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate
SMILESCc1c(C(=O)C(=O)NC2(C(F)(F)F)COC2)c2n(c1C(=O)On1nnc3cccnc31)C[C@H](F)C2
InChIInChI=1S/C20H16F4N6O5/c1-9-13(15(31)17(32)26-19(7-34-8-19)20(22,23)24)12-5-10(21)6-29(12)14(9)18(33)35-30-16-11(27-28-30)3-2-4-25-16/h2-4,10H,5-8H2,1H3,(H,26,32)/t10-/m1/s1
InChIKeySRSXGZPQKKEGFD-SNVBAGLBSA-N
MW496.38 g/mol
LogP0.73
Rot. Bonds5

About triazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate

triazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate (PubChem CID 134303034) has the molecular formula C20H16F4N6O5 and a molecular weight of 496.38 g/mol. Its IUPAC name is triazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate.

Molecular Properties

Compound Nametriazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate
PubChem CID134303034
Molecular FormulaC20H16F4N6O5
Molecular Weight496.38 g/mol
Exact Mass496.11
IUPAC Nametriazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate
SMILESCc1c(C(=O)C(=O)NC2(C(F)(F)F)COC2)c2n(c1C(=O)On1nnc3cccnc31)C[C@H](F)C2
InChIInChI=1S/C20H16F4N6O5/c1-9-13(15(31)17(32)26-19(7-34-8-19)20(22,23)24)12-5-10(21)6-29(12)14(9)18(33)35-30-16-11(27-28-30)3-2-4-25-16/h2-4,10H,5-8H2,1H3,(H,26,32)/t10-/m1/s1
InChIKeySRSXGZPQKKEGFD-SNVBAGLBSA-N
XLogP0.73
TPSA130.23 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}

Analyze triazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate 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 triazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate?
The IUPAC name of triazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate (CID 134303034) is triazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate.
What is the SMILES notation for triazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate?
The canonical SMILES for triazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate is Cc1c(C(=O)C(=O)NC2(C(F)(F)F)COC2)c2n(c1C(=O)On1nnc3cccnc31)C[C@H](F)C2.
What is the InChIKey of triazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate?
The InChIKey is SRSXGZPQKKEGFD-SNVBAGLBSA-N. The full InChI is InChI=1S/C20H16F4N6O5/c1-9-13(15(31)17(32)26-19(7-34-8-19)20(22,23)24)12-5-10(21)6-29(12)14(9)18(33)35-30-16-11(27-28-30)3-2-4-25-16/h2-4,10H,5-8H2,1H3,(H,26,32)/t10-/m1/s1.
What are the key properties of triazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate?
triazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate has a molecular weight of 496.38 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for triazolo[4,5-b]pyridin-3-yl (6R)-6-fluoro-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxylate is sourced from PubChem (CID 134303034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).