(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide

C25H25FN4O3 — CID 92592398

IUPAC(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C25H25FN4O3/c1-2-27-24(33)25(12-13-30(16-25)23(32)21-10-11-22(31)29-28-21)15-17-4-3-5-19(14-17)18-6-8-20(26)9-7-18/h3-11,14H,2,12-13,15-16H2,1H3,(H,27,33)(H,29,31)/t25-/m0/s1
InChIKeyRMWUFJZPBDEYAW-VWLOTQADSA-N
MW448.50 g/mol
LogP2.79
Rot. Bonds6

About (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide

(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 92592398) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide
PubChem CID92592398
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C25H25FN4O3/c1-2-27-24(33)25(12-13-30(16-25)23(32)21-10-11-22(31)29-28-21)15-17-4-3-5-19(14-17)18-6-8-20(26)9-7-18/h3-11,14H,2,12-13,15-16H2,1H3,(H,27,33)(H,29,31)/t25-/m0/s1
InChIKeyRMWUFJZPBDEYAW-VWLOTQADSA-N
XLogP2.79
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide
CID 92592397
N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 110229697
(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 92584975
(3S)-N-ethyl-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592375
(3S)-1-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-yl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579898
(3S)-N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92592501
N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110243404
(3R)-N-ethyl-1-(2-fluorobenzoyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592440
(3S)-1-(4-aminobenzoyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592401
(3S)-N-ethyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592379
N-ethyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229647
N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 110229783

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide (CID 92592398) is (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide is CCNC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2ccc(=O)[nH]n2)C1.
What is the InChIKey of (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is RMWUFJZPBDEYAW-VWLOTQADSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-2-27-24(33)25(12-13-30(16-25)23(32)21-10-11-22(31)29-28-21)15-17-4-3-5-19(14-17)18-6-8-20(26)9-7-18/h3-11,14H,2,12-13,15-16H2,1H3,(H,27,33)(H,29,31)/t25-/m0/s1.
What are the key properties of (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide?
(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92592398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).