CID 134792786

C16H14F2N4O3S — CID 134792786

IUPAC—
SMILESC[S+](=O)([O-])c1cccc(-c2nnc3ccc(C(=O)NCC(F)F)cn23)c1
InChIInChI=1S/C16H14F2N4O3S/c1-26(24,25)12-4-2-3-10(7-12)15-21-20-14-6-5-11(9-22(14)15)16(23)19-8-13(17)18/h2-7,9,13H,8H2,1H3,(H-,19,23,24,25)
InChIKeyHQEDOIWLOBRJCA-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.01
Rot. Bonds5

About CID 134792786

CID 134792786 (PubChem CID 134792786) has the molecular formula C16H14F2N4O3S and a molecular weight of 380.38 g/mol.

Molecular Properties

Compound NameCID 134792786
PubChem CID134792786
Molecular FormulaC16H14F2N4O3S
Molecular Weight380.38 g/mol
Exact Mass380.08
IUPAC Name—
SMILESC[S+](=O)([O-])c1cccc(-c2nnc3ccc(C(=O)NCC(F)F)cn23)c1
InChIInChI=1S/C16H14F2N4O3S/c1-26(24,25)12-4-2-3-10(7-12)15-21-20-14-6-5-11(9-22(14)15)16(23)19-8-13(17)18/h2-7,9,13H,8H2,1H3,(H-,19,23,24,25)
InChIKeyHQEDOIWLOBRJCA-UHFFFAOYSA-N
XLogP2.01
TPSA99.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 134797080
CID 134797080
3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798880
N-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134799823
3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798902
3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63211830
3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 82878738
N-(3-ethyl-2-hydroxypentyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111115737
3-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798846
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
3-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798531
3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158435
N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 137291262

Frequently Asked Questions

What is the IUPAC name of CID 134792786?
The IUPAC name of CID 134792786 (CID 134792786) is not available.
What is the SMILES notation for CID 134792786?
The canonical SMILES for CID 134792786 is C[S+](=O)([O-])c1cccc(-c2nnc3ccc(C(=O)NCC(F)F)cn23)c1.
What is the InChIKey of CID 134792786?
The InChIKey is HQEDOIWLOBRJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O3S/c1-26(24,25)12-4-2-3-10(7-12)15-21-20-14-6-5-11(9-22(14)15)16(23)19-8-13(17)18/h2-7,9,13H,8H2,1H3,(H-,19,23,24,25).
What are the key properties of CID 134792786?
CID 134792786 has a molecular weight of 380.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134792786 is sourced from PubChem (CID 134792786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).