4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one

C16H19FN4O2 — CID 126899883

IUPAC4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2nncc3ccoc23)CC1
InChIInChI=1S/C16H19FN4O2/c17-8-11-7-14(22)21(10-11)13-1-4-20(5-2-13)16-15-12(3-6-23-15)9-18-19-16/h3,6,9,11,13H,1-2,4-5,7-8,10H2
InChIKeyPZBDCYREEVEPHY-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.01
Rot. Bonds3

About 4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one

4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one (PubChem CID 126899883) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one
PubChem CID126899883
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2nncc3ccoc23)CC1
InChIInChI=1S/C16H19FN4O2/c17-8-11-7-14(22)21(10-11)13-1-4-20(5-2-13)16-15-12(3-6-23-15)9-18-19-16/h3,6,9,11,13H,1-2,4-5,7-8,10H2
InChIKeyPZBDCYREEVEPHY-UHFFFAOYSA-N
XLogP2.01
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899745
4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 126899887
4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899802
4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899891
1-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899942
4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899751
2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one
CID 126899934
2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126863319
7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine
CID 126901539
1-[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899704
4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 126899694
6-cyclopropyl-2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923703

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one (CID 126899883) is 4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(c2nncc3ccoc23)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one?
The InChIKey is PZBDCYREEVEPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-8-11-7-14(22)21(10-11)13-1-4-20(5-2-13)16-15-12(3-6-23-15)9-18-19-16/h3,6,9,11,13H,1-2,4-5,7-8,10H2.
What are the key properties of 4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one?
4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one has a molecular weight of 318.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 126899883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).