[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone

C18H23FN6O — CID 122335628

IUPAC[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3cncc(F)c3)CC2)nn1
InChIInChI=1S/C18H23FN6O/c1-3-23(4-2)16-5-6-17(22-21-16)24-7-9-25(10-8-24)18(26)14-11-15(19)13-20-12-14/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyFJWLDSBROLLJHA-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.82
Rot. Bonds5

About [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone

[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone (PubChem CID 122335628) has the molecular formula C18H23FN6O and a molecular weight of 358.42 g/mol. Its IUPAC name is [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
PubChem CID122335628
Molecular FormulaC18H23FN6O
Molecular Weight358.42 g/mol
Exact Mass358.19
IUPAC Name[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3cncc(F)c3)CC2)nn1
InChIInChI=1S/C18H23FN6O/c1-3-23(4-2)16-5-6-17(22-21-16)24-7-9-25(10-8-24)18(26)14-11-15(19)13-20-12-14/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyFJWLDSBROLLJHA-UHFFFAOYSA-N
XLogP1.82
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053372
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053870
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 122335617
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122335476
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 121053720
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 122335542
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 119105973
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 122335601
4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 122335449
(5-fluoro-3-pyridinyl)-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122341168
[6-(diethylamino)-3-pyridinyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 48652759
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[2-(difluoromethylsulfonyl)phenyl]methanone
CID 122335549

Frequently Asked Questions

What is the IUPAC name of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone (CID 122335628) is [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone is CCN(CC)c1ccc(N2CCN(C(=O)c3cncc(F)c3)CC2)nn1.
What is the InChIKey of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is FJWLDSBROLLJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6O/c1-3-23(4-2)16-5-6-17(22-21-16)24-7-9-25(10-8-24)18(26)14-11-15(19)13-20-12-14/h5-6,11-13H,3-4,7-10H2,1-2H3.
What are the key properties of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 358.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 122335628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).