(3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

C18H16F2N6O — CID 90539451

IUPAC(3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C18H16F2N6O/c19-14-2-1-13(11-15(14)20)18(27)25-9-7-24(8-10-25)16-3-4-17(23-22-16)26-6-5-21-12-26/h1-6,11-12H,7-10H2
InChIKeyAYBRLAZBADCWNP-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.90
Rot. Bonds3

About (3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

(3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 90539451) has the molecular formula C18H16F2N6O and a molecular weight of 370.36 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID90539451
Molecular FormulaC18H16F2N6O
Molecular Weight370.36 g/mol
Exact Mass370.14
IUPAC Name(3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C18H16F2N6O/c19-14-2-1-13(11-15(14)20)18(27)25-9-7-24(8-10-25)16-3-4-17(23-22-16)26-6-5-21-12-26/h1-6,11-12H,7-10H2
InChIKeyAYBRLAZBADCWNP-UHFFFAOYSA-N
XLogP1.90
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-difluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334310
(3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345832
(4-chloro-3-nitrophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 90539530
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 90539348
(4-chlorophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699121
(2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 90539357
(3,4-difluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788576
(3,4-dimethylphenyl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699139
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 90539491
(3-fluorophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700227
1-[4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
CID 122338349
(3,4-dimethoxyphenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700148

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 90539451) is (3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is AYBRLAZBADCWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O/c19-14-2-1-13(11-15(14)20)18(27)25-9-7-24(8-10-25)16-3-4-17(23-22-16)26-6-5-21-12-26/h1-6,11-12H,7-10H2.
What are the key properties of (3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 370.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 90539451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).