N-[6-[2-(4-fluorophenyl)ethyl]pyridazin-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C28H30FN5O3 — CID 122445962

IUPACN-[6-[2-(4-fluorophenyl)ethyl]pyridazin-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(CCc2ccc(F)cc2)nn1)C1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C28H30FN5O3/c29-23-6-1-20(2-7-23)3-8-24-9-12-26(32-31-24)30-28(36)22-17-27(35)34(19-22)25-10-4-21(5-11-25)18-33-13-15-37-16-14-33/h1-2,4-7,9-12,22H,3,8,13-19H2,(H,30,32,36)
InChIKeyGEPLIZKJBOVQPU-UHFFFAOYSA-N
MW503.58 g/mol
LogP3.22
Rot. Bonds8

About N-[6-[2-(4-fluorophenyl)ethyl]pyridazin-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

N-[6-[2-(4-fluorophenyl)ethyl]pyridazin-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 122445962) has the molecular formula C28H30FN5O3 and a molecular weight of 503.58 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)ethyl]pyridazin-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)ethyl]pyridazin-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID122445962
Molecular FormulaC28H30FN5O3
Molecular Weight503.58 g/mol
Exact Mass503.23
IUPAC NameN-[6-[2-(4-fluorophenyl)ethyl]pyridazin-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(CCc2ccc(F)cc2)nn1)C1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C28H30FN5O3/c29-23-6-1-20(2-7-23)3-8-24-9-12-26(32-31-24)30-28(36)22-17-27(35)34(19-22)25-10-4-21(5-11-25)18-33-13-15-37-16-14-33/h1-2,4-7,9-12,22H,3,8,13-19H2,(H,30,32,36)
InChIKeyGEPLIZKJBOVQPU-UHFFFAOYSA-N
XLogP3.22
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)ethyl]pyridazin-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)ethyl]pyridazin-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 122445962) is N-[6-[2-(4-fluorophenyl)ethyl]pyridazin-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)ethyl]pyridazin-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)ethyl]pyridazin-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(CCc2ccc(F)cc2)nn1)C1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)ethyl]pyridazin-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GEPLIZKJBOVQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O3/c29-23-6-1-20(2-7-23)3-8-24-9-12-26(32-31-24)30-28(36)22-17-27(35)34(19-22)25-10-4-21(5-11-25)18-33-13-15-37-16-14-33/h1-2,4-7,9-12,22H,3,8,13-19H2,(H,30,32,36).
What are the key properties of N-[6-[2-(4-fluorophenyl)ethyl]pyridazin-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-[6-[2-(4-fluorophenyl)ethyl]pyridazin-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 503.58 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-fluorophenyl)ethyl]pyridazin-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122445962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).