N-[5-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C22H18FN5O3S — CID 44626049

IUPACN-[5-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)n2n1)C1CC1
InChIInChI=1S/C22H18FN5O3S/c23-16-8-12-18(13-9-16)32(30,31)27-17-10-6-14(7-11-17)19-2-1-3-20-24-22(26-28(19)20)25-21(29)15-4-5-15/h1-3,6-13,15,27H,4-5H2,(H,25,26,29)
InChIKeyLVUGKZWYRBCYGZ-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.68
Rot. Bonds6

About N-[5-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44626049) has the molecular formula C22H18FN5O3S and a molecular weight of 451.48 g/mol. Its IUPAC name is N-[5-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44626049
Molecular FormulaC22H18FN5O3S
Molecular Weight451.48 g/mol
Exact Mass451.11
IUPAC NameN-[5-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)n2n1)C1CC1
InChIInChI=1S/C22H18FN5O3S/c23-16-8-12-18(13-9-16)32(30,31)27-17-10-6-14(7-11-17)19-2-1-3-20-24-22(26-28(19)20)25-21(29)15-4-5-15/h1-3,6-13,15,27H,4-5H2,(H,25,26,29)
InChIKeyLVUGKZWYRBCYGZ-UHFFFAOYSA-N
XLogP3.68
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44626049) is N-[5-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is LVUGKZWYRBCYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3S/c23-16-8-12-18(13-9-16)32(30,31)27-17-10-6-14(7-11-17)19-2-1-3-20-24-22(26-28(19)20)25-21(29)15-4-5-15/h1-3,6-13,15,27H,4-5H2,(H,25,26,29).
What are the key properties of N-[5-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 451.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44626049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).