1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one

C17H17FN4O — CID 133357482

IUPAC1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2ccc(-c3ccc(F)cc3)nn2)CN1C1CC1
InChIInChI=1S/C17H17FN4O/c18-12-3-1-11(2-4-12)15-7-8-16(21-20-15)19-13-9-17(23)22(10-13)14-5-6-14/h1-4,7-8,13-14H,5-6,9-10H2,(H,19,21)
InChIKeyAJBXSNGFVBRPDO-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.46
Rot. Bonds4

About 1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one

1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one (PubChem CID 133357482) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one
PubChem CID133357482
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2ccc(-c3ccc(F)cc3)nn2)CN1C1CC1
InChIInChI=1S/C17H17FN4O/c18-12-3-1-11(2-4-12)15-7-8-16(21-20-15)19-13-9-17(23)22(10-13)14-5-6-14/h1-4,7-8,13-14H,5-6,9-10H2,(H,19,21)
InChIKeyAJBXSNGFVBRPDO-UHFFFAOYSA-N
XLogP2.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133342190
N-(1-cyclopentylpyrrolidin-3-yl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 133292234
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one
CID 133357473
N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 133473519
1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one
CID 133357435
(4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one
CID 97321254
1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one
CID 82175905
2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile
CID 133357352
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 133399616
6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
CID 29140335
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-5-fluoropyridine-3-carboxamide
CID 129381908
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide
CID 122246592

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one (CID 133357482) is 1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one is O=C1CC(Nc2ccc(-c3ccc(F)cc3)nn2)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The InChIKey is AJBXSNGFVBRPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-12-3-1-11(2-4-12)15-7-8-16(21-20-15)19-13-9-17(23)22(10-13)14-5-6-14/h1-4,7-8,13-14H,5-6,9-10H2,(H,19,21).
What are the key properties of 1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one has a molecular weight of 312.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133357482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).