4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one

C16H21FN6O — CID 126899751

IUPAC4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1nnc2ccc(N3CCC(N4CC(CF)CC4=O)CC3)nn12
InChIInChI=1S/C16H21FN6O/c1-11-18-19-14-2-3-15(20-23(11)14)21-6-4-13(5-7-21)22-10-12(9-17)8-16(22)24/h2-3,12-13H,4-10H2,1H3
InChIKeyQHQOXXBEDDFRLM-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.22
Rot. Bonds3

About 4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899751) has the molecular formula C16H21FN6O and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899751
Molecular FormulaC16H21FN6O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC Name4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1nnc2ccc(N3CCC(N4CC(CF)CC4=O)CC3)nn12
InChIInChI=1S/C16H21FN6O/c1-11-18-19-14-2-3-15(20-23(11)14)21-6-4-13(5-7-21)22-10-12(9-17)8-16(22)24/h2-3,12-13H,4-10H2,1H3
InChIKeyQHQOXXBEDDFRLM-UHFFFAOYSA-N
XLogP1.22
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899802
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899745
4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899891
4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 126899887
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
5,6-dimethyl-3-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941167
6-[(3R)-3-(azepan-1-ylmethyl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 97075061
2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one
CID 126899934
2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126851790
N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 146074495
4-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 134801995
1-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899942

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one (CID 126899751) is 4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one is Cc1nnc2ccc(N3CCC(N4CC(CF)CC4=O)CC3)nn12.
What is the InChIKey of 4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is QHQOXXBEDDFRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O/c1-11-18-19-14-2-3-15(20-23(11)14)21-6-4-13(5-7-21)22-10-12(9-17)8-16(22)24/h2-3,12-13H,4-10H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 332.38 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).