5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide

C26H18Cl2FN7O3 — CID 126962888

IUPAC5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESCc1nnc(CNC(=O)c2cc(NC(=O)c3cc(-c4ccc(F)cn4)c(Cl)cc3Cl)n(-c3ccccc3)n2)o1
InChIInChI=1S/C26H18Cl2FN7O3/c1-14-33-34-24(39-14)13-31-26(38)22-11-23(36(35-22)16-5-3-2-4-6-16)32-25(37)18-9-17(19(27)10-20(18)28)21-8-7-15(29)12-30-21/h2-12H,13H2,1H3,(H,31,38)(H,32,37)
InChIKeyZWICHIFRZYQTFL-UHFFFAOYSA-N
MW566.38 g/mol
LogP5.25
Rot. Bonds7

About 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide

5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 126962888) has the molecular formula C26H18Cl2FN7O3 and a molecular weight of 566.38 g/mol. Its IUPAC name is 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide
PubChem CID126962888
Molecular FormulaC26H18Cl2FN7O3
Molecular Weight566.38 g/mol
Exact Mass565.08
IUPAC Name5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESCc1nnc(CNC(=O)c2cc(NC(=O)c3cc(-c4ccc(F)cn4)c(Cl)cc3Cl)n(-c3ccccc3)n2)o1
InChIInChI=1S/C26H18Cl2FN7O3/c1-14-33-34-24(39-14)13-31-26(38)22-11-23(36(35-22)16-5-3-2-4-6-16)32-25(37)18-9-17(19(27)10-20(18)28)21-8-7-15(29)12-30-21/h2-12H,13H2,1H3,(H,31,38)(H,32,37)
InChIKeyZWICHIFRZYQTFL-UHFFFAOYSA-N
XLogP5.25
TPSA127.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.38
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide (CID 126962888) is 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide is Cc1nnc(CNC(=O)c2cc(NC(=O)c3cc(-c4ccc(F)cn4)c(Cl)cc3Cl)n(-c3ccccc3)n2)o1.
What is the InChIKey of 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is ZWICHIFRZYQTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2FN7O3/c1-14-33-34-24(39-14)13-31-26(38)22-11-23(36(35-22)16-5-3-2-4-6-16)32-25(37)18-9-17(19(27)10-20(18)28)21-8-7-15(29)12-30-21/h2-12H,13H2,1H3,(H,31,38)(H,32,37).
What are the key properties of 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide?
5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 566.38 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 126962888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).