[1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone

C13H18FN5O — CID 118434107

IUPAC[1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone
SMILESNc1cnncc1N1CCC(C(=O)N2CC(F)C2)CC1
InChIInChI=1S/C13H18FN5O/c14-10-7-19(8-10)13(20)9-1-3-18(4-2-9)12-6-17-16-5-11(12)15/h5-6,9-10H,1-4,7-8H2,(H2,15,17)
InChIKeyLDIKYLZFLQLBBC-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.46
Rot. Bonds2

About [1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone

[1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone (PubChem CID 118434107) has the molecular formula C13H18FN5O and a molecular weight of 279.32 g/mol. Its IUPAC name is [1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone
PubChem CID118434107
Molecular FormulaC13H18FN5O
Molecular Weight279.32 g/mol
Exact Mass279.15
IUPAC Name[1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone
SMILESNc1cnncc1N1CCC(C(=O)N2CC(F)C2)CC1
InChIInChI=1S/C13H18FN5O/c14-10-7-19(8-10)13(20)9-1-3-18(4-2-9)12-6-17-16-5-11(12)15/h5-6,9-10H,1-4,7-8H2,(H2,15,17)
InChIKeyLDIKYLZFLQLBBC-UHFFFAOYSA-N
XLogP0.46
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-(18F)fluoroazetidin-1-yl)-[1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl]methanone
CID 102593937
[1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 90205765
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone
CID 43462423
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462424
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 40954386
(3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride
CID 22721764
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
1-(5-amino-1H-pyrazol-4-yl)piperidine-4-carboxamide
CID 82234902
[1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 140653092
azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 78803930
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one
CID 110090146

Frequently Asked Questions

What is the IUPAC name of [1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone?
The IUPAC name of [1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone (CID 118434107) is [1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone.
What is the SMILES notation for [1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone?
The canonical SMILES for [1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone is Nc1cnncc1N1CCC(C(=O)N2CC(F)C2)CC1.
What is the InChIKey of [1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone?
The InChIKey is LDIKYLZFLQLBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5O/c14-10-7-19(8-10)13(20)9-1-3-18(4-2-9)12-6-17-16-5-11(12)15/h5-6,9-10H,1-4,7-8H2,(H2,15,17).
What are the key properties of [1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone?
[1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone has a molecular weight of 279.32 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-aminopyridazin-4-yl)piperidin-4-yl]-(3-fluoroazetidin-1-yl)methanone is sourced from PubChem (CID 118434107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).