2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

C31H29FN6O5S — CID 54770578

IUPAC2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C31H29FN6O5S/c1-42-28-19-26(44(40,41)37-14-16-43-17-15-37)11-12-27(28)34-31-35-29-13-6-23(20-38(29)36-31)22-4-9-25(10-5-22)33-30(39)18-21-2-7-24(32)8-3-21/h2-13,19-20H,14-18H2,1H3,(H,33,39)(H,34,36)
InChIKeyJYGTYQUJHLAWQT-UHFFFAOYSA-N
MW616.68 g/mol
LogP4.49
Rot. Bonds9

About 2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (PubChem CID 54770578) has the molecular formula C31H29FN6O5S and a molecular weight of 616.68 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
PubChem CID54770578
Molecular FormulaC31H29FN6O5S
Molecular Weight616.68 g/mol
Exact Mass616.19
IUPAC Name2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C31H29FN6O5S/c1-42-28-19-26(44(40,41)37-14-16-43-17-15-37)11-12-27(28)34-31-35-29-13-6-23(20-38(29)36-31)22-4-9-25(10-5-22)33-30(39)18-21-2-7-24(32)8-3-21/h2-13,19-20H,14-18H2,1H3,(H,33,39)(H,34,36)
InChIKeyJYGTYQUJHLAWQT-UHFFFAOYSA-N
XLogP4.49
TPSA127.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.68
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (CID 54770578) is 2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is COc1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The InChIKey is JYGTYQUJHLAWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN6O5S/c1-42-28-19-26(44(40,41)37-14-16-43-17-15-37)11-12-27(28)34-31-35-29-13-6-23(20-38(29)36-31)22-4-9-25(10-5-22)33-30(39)18-21-2-7-24(32)8-3-21/h2-13,19-20H,14-18H2,1H3,(H,33,39)(H,34,36).
What are the key properties of 2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide has a molecular weight of 616.68 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 54770578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).