1-[5-(difluoromethoxy)-3-pyridinyl]-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one

C22H14F2N6O2 — CID 59453398

IUPAC1-[5-(difluoromethoxy)-3-pyridinyl]-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2cncc(OC(F)F)c2)nc1-c1ccnn1-c1cccc2ncccc12
InChIInChI=1S/C22H14F2N6O2/c23-22(24)32-15-11-14(12-25-13-15)29-10-7-20(31)21(28-29)19-6-9-27-30(19)18-5-1-4-17-16(18)3-2-8-26-17/h1-13,22H
InChIKeyOFSIKYGZTXXIDI-UHFFFAOYSA-N
MW432.39 g/mol
LogP3.63
Rot. Bonds5

About 1-[5-(difluoromethoxy)-3-pyridinyl]-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one

1-[5-(difluoromethoxy)-3-pyridinyl]-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one (PubChem CID 59453398) has the molecular formula C22H14F2N6O2 and a molecular weight of 432.39 g/mol. Its IUPAC name is 1-[5-(difluoromethoxy)-3-pyridinyl]-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[5-(difluoromethoxy)-3-pyridinyl]-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one
PubChem CID59453398
Molecular FormulaC22H14F2N6O2
Molecular Weight432.39 g/mol
Exact Mass432.11
IUPAC Name1-[5-(difluoromethoxy)-3-pyridinyl]-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2cncc(OC(F)F)c2)nc1-c1ccnn1-c1cccc2ncccc12
InChIInChI=1S/C22H14F2N6O2/c23-22(24)32-15-11-14(12-25-13-15)29-10-7-20(31)21(28-29)19-6-9-27-30(19)18-5-1-4-17-16(18)3-2-8-26-17/h1-13,22H
InChIKeyOFSIKYGZTXXIDI-UHFFFAOYSA-N
XLogP3.63
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethoxy)-3-pyridinyl]-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[5-(difluoromethoxy)-3-pyridinyl]-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one (CID 59453398) is 1-[5-(difluoromethoxy)-3-pyridinyl]-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[5-(difluoromethoxy)-3-pyridinyl]-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[5-(difluoromethoxy)-3-pyridinyl]-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one is O=c1ccn(-c2cncc(OC(F)F)c2)nc1-c1ccnn1-c1cccc2ncccc12.
What is the InChIKey of 1-[5-(difluoromethoxy)-3-pyridinyl]-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is OFSIKYGZTXXIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N6O2/c23-22(24)32-15-11-14(12-25-13-15)29-10-7-20(31)21(28-29)19-6-9-27-30(19)18-5-1-4-17-16(18)3-2-8-26-17/h1-13,22H.
What are the key properties of 1-[5-(difluoromethoxy)-3-pyridinyl]-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one?
1-[5-(difluoromethoxy)-3-pyridinyl]-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 432.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethoxy)-3-pyridinyl]-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 59453398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).