2-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide

C23H21FN4O3 — CID 134802959

IUPAC2-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC(NC(=O)c4ccccc4F)C3)cc2)nn1
InChIInChI=1S/C23H21FN4O3/c1-31-21-11-10-20(26-27-21)15-6-8-16(9-7-15)23(30)28-13-12-17(14-28)25-22(29)18-4-2-3-5-19(18)24/h2-11,17H,12-14H2,1H3,(H,25,29)
InChIKeyXXXIYXOGRKTZRU-UHFFFAOYSA-N
MW420.44 g/mol
LogP2.94
Rot. Bonds5

About 2-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide

2-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide (PubChem CID 134802959) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide
PubChem CID134802959
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name2-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC(NC(=O)c4ccccc4F)C3)cc2)nn1
InChIInChI=1S/C23H21FN4O3/c1-31-21-11-10-20(26-27-21)15-6-8-16(9-7-15)23(30)28-13-12-17(14-28)25-22(29)18-4-2-3-5-19(18)24/h2-11,17H,12-14H2,1H3,(H,25,29)
InChIKeyXXXIYXOGRKTZRU-UHFFFAOYSA-N
XLogP2.94
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide (CID 134802959) is 2-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide is COc1ccc(-c2ccc(C(=O)N3CCC(NC(=O)c4ccccc4F)C3)cc2)nn1.
What is the InChIKey of 2-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide?
The InChIKey is XXXIYXOGRKTZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-31-21-11-10-20(26-27-21)15-6-8-16(9-7-15)23(30)28-13-12-17(14-28)25-22(29)18-4-2-3-5-19(18)24/h2-11,17H,12-14H2,1H3,(H,25,29).
What are the key properties of 2-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide?
2-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide has a molecular weight of 420.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 134802959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).