N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide

C24H24F3N7O4S — CID 169489732

IUPACN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
SMILESCCCc1nc(C)c2n1NC(c1cc(S(=O)(=O)Nc3cnc(C#N)c(C(F)(F)F)c3)ccc1OCC)NC2=O
InChIInChI=1S/C24H24F3N7O4S/c1-4-6-20-30-13(3)21-23(35)31-22(32-34(20)21)16-10-15(7-8-19(16)38-5-2)39(36,37)33-14-9-17(24(25,26)27)18(11-28)29-12-14/h7-10,12,22,32-33H,4-6H2,1-3H3,(H,31,35)
InChIKeyMQECIWBZSVIJGI-UHFFFAOYSA-N
MW563.56 g/mol
LogP3.61
Rot. Bonds8

About N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide

N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide (PubChem CID 169489732) has the molecular formula C24H24F3N7O4S and a molecular weight of 563.56 g/mol. Its IUPAC name is N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
PubChem CID169489732
Molecular FormulaC24H24F3N7O4S
Molecular Weight563.56 g/mol
Exact Mass563.16
IUPAC NameN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
SMILESCCCc1nc(C)c2n1NC(c1cc(S(=O)(=O)Nc3cnc(C#N)c(C(F)(F)F)c3)ccc1OCC)NC2=O
InChIInChI=1S/C24H24F3N7O4S/c1-4-6-20-30-13(3)21-23(35)31-22(32-34(20)21)16-10-15(7-8-19(16)38-5-2)39(36,37)33-14-9-17(24(25,26)27)18(11-28)29-12-14/h7-10,12,22,32-33H,4-6H2,1-3H3,(H,31,35)
InChIKeyMQECIWBZSVIJGI-UHFFFAOYSA-N
XLogP3.61
TPSA151.03 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.56
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide?
The IUPAC name of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide (CID 169489732) is N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide?
The canonical SMILES for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide is CCCc1nc(C)c2n1NC(c1cc(S(=O)(=O)Nc3cnc(C#N)c(C(F)(F)F)c3)ccc1OCC)NC2=O.
What is the InChIKey of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide?
The InChIKey is MQECIWBZSVIJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O4S/c1-4-6-20-30-13(3)21-23(35)31-22(32-34(20)21)16-10-15(7-8-19(16)38-5-2)39(36,37)33-14-9-17(24(25,26)27)18(11-28)29-12-14/h7-10,12,22,32-33H,4-6H2,1-3H3,(H,31,35).
What are the key properties of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide?
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide has a molecular weight of 563.56 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 169489732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).