[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate

C24H20F4N8O3 — CID 162377734

IUPAC[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
SMILESC[C@@H](OC(=O)Nc1c(-c2ccc(NC(=O)c3ccc(C(C)(F)F)nc3)cn2)nnn1C)c1cc(F)cnc1F
InChIInChI=1S/C24H20F4N8O3/c1-12(16-8-14(25)10-31-20(16)26)39-23(38)33-21-19(34-35-36(21)3)17-6-5-15(11-29-17)32-22(37)13-4-7-18(30-9-13)24(2,27)28/h4-12H,1-3H3,(H,32,37)(H,33,38)/t12-/m1/s1
InChIKeySKWUEJUWFKQAPV-GFCCVEGCSA-N
MW544.47 g/mol
LogP4.62
Rot. Bonds7

About [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate

[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate (PubChem CID 162377734) has the molecular formula C24H20F4N8O3 and a molecular weight of 544.47 g/mol. Its IUPAC name is [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate.

Molecular Properties

Compound Name[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
PubChem CID162377734
Molecular FormulaC24H20F4N8O3
Molecular Weight544.47 g/mol
Exact Mass544.16
IUPAC Name[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
SMILESC[C@@H](OC(=O)Nc1c(-c2ccc(NC(=O)c3ccc(C(C)(F)F)nc3)cn2)nnn1C)c1cc(F)cnc1F
InChIInChI=1S/C24H20F4N8O3/c1-12(16-8-14(25)10-31-20(16)26)39-23(38)33-21-19(34-35-36(21)3)17-6-5-15(11-29-17)32-22(37)13-4-7-18(30-9-13)24(2,27)28/h4-12H,1-3H3,(H,32,37)(H,33,38)/t12-/m1/s1
InChIKeySKWUEJUWFKQAPV-GFCCVEGCSA-N
XLogP4.62
TPSA136.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.47
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate 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 [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?
The IUPAC name of [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate (CID 162377734) is [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate.
What is the SMILES notation for [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?
The canonical SMILES for [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate is C[C@@H](OC(=O)Nc1c(-c2ccc(NC(=O)c3ccc(C(C)(F)F)nc3)cn2)nnn1C)c1cc(F)cnc1F.
What is the InChIKey of [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?
The InChIKey is SKWUEJUWFKQAPV-GFCCVEGCSA-N. The full InChI is InChI=1S/C24H20F4N8O3/c1-12(16-8-14(25)10-31-20(16)26)39-23(38)33-21-19(34-35-36(21)3)17-6-5-15(11-29-17)32-22(37)13-4-7-18(30-9-13)24(2,27)28/h4-12H,1-3H3,(H,32,37)(H,33,38)/t12-/m1/s1.
What are the key properties of [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?
[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate has a molecular weight of 544.47 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate is sourced from PubChem (CID 162377734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).