6-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one

C15H16FN5O3 — CID 122258254

IUPAC6-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)ccc1=O
InChIInChI=1S/C15H16FN5O3/c1-20-13(22)5-4-12(19-20)14(23)21-6-2-3-11(9-21)24-15-17-7-10(16)8-18-15/h4-5,7-8,11H,2-3,6,9H2,1H3
InChIKeyDPKQZEWBIPPDFR-UHFFFAOYSA-N
MW333.32 g/mol
LogP0.39
Rot. Bonds3

About 6-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one

6-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 122258254) has the molecular formula C15H16FN5O3 and a molecular weight of 333.32 g/mol. Its IUPAC name is 6-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID122258254
Molecular FormulaC15H16FN5O3
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name6-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)ccc1=O
InChIInChI=1S/C15H16FN5O3/c1-20-13(22)5-4-12(19-20)14(23)21-6-2-3-11(9-21)24-15-17-7-10(16)8-18-15/h4-5,7-8,11H,2-3,6,9H2,1H3
InChIKeyDPKQZEWBIPPDFR-UHFFFAOYSA-N
XLogP0.39
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one (CID 122258254) is 6-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)ccc1=O.
What is the InChIKey of 6-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is DPKQZEWBIPPDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O3/c1-20-13(22)5-4-12(19-20)14(23)21-6-2-3-11(9-21)24-15-17-7-10(16)8-18-15/h4-5,7-8,11H,2-3,6,9H2,1H3.
What are the key properties of 6-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 333.32 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 122258254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).