[5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate

C14H10F2N8O3 — CID 175412728

IUPAC[5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate
SMILESCn1nnc(-c2cnc(NC(=O)c3ccnc(F)c3F)cn2)c1OC(N)=O
InChIInChI=1S/C14H10F2N8O3/c1-24-13(27-14(17)26)10(22-23-24)7-4-20-8(5-19-7)21-12(25)6-2-3-18-11(16)9(6)15/h2-5H,1H3,(H2,17,26)(H,20,21,25)
InChIKeyITGBIGGEGIBZCM-UHFFFAOYSA-N
MW376.28 g/mol
LogP0.66
Rot. Bonds4

About [5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate

[5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate (PubChem CID 175412728) has the molecular formula C14H10F2N8O3 and a molecular weight of 376.28 g/mol. Its IUPAC name is [5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate.

Molecular Properties

Compound Name[5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate
PubChem CID175412728
Molecular FormulaC14H10F2N8O3
Molecular Weight376.28 g/mol
Exact Mass376.08
IUPAC Name[5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate
SMILESCn1nnc(-c2cnc(NC(=O)c3ccnc(F)c3F)cn2)c1OC(N)=O
InChIInChI=1S/C14H10F2N8O3/c1-24-13(27-14(17)26)10(22-23-24)7-4-20-8(5-19-7)21-12(25)6-2-3-18-11(16)9(6)15/h2-5H,1H3,(H2,17,26)(H,20,21,25)
InChIKeyITGBIGGEGIBZCM-UHFFFAOYSA-N
XLogP0.66
TPSA150.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-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

Related Compounds

2,3-difluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 105380291
[5-[6-fluoro-5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl] carbamate
CID 175413082
2,3-difluoro-N-(2-methyltetrazol-5-yl)pyridine-4-carboxamide
CID 105381449
2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
CID 118378708
N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380731
[3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate
CID 175412676
N-(2,6-difluorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380320
2,3-difluoro-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 105381676
2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105380183
N-(4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380159
[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate
CID 162377613
2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 107470488

Frequently Asked Questions

What is the IUPAC name of [5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate?
The IUPAC name of [5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate (CID 175412728) is [5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate.
What is the SMILES notation for [5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate?
The canonical SMILES for [5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate is Cn1nnc(-c2cnc(NC(=O)c3ccnc(F)c3F)cn2)c1OC(N)=O.
What is the InChIKey of [5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate?
The InChIKey is ITGBIGGEGIBZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N8O3/c1-24-13(27-14(17)26)10(22-23-24)7-4-20-8(5-19-7)21-12(25)6-2-3-18-11(16)9(6)15/h2-5H,1H3,(H2,17,26)(H,20,21,25).
What are the key properties of [5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate?
[5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate has a molecular weight of 376.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate is sourced from PubChem (CID 175412728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).