2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one

C26H22F2N6O2 — CID 121107255

IUPAC2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one
SMILESO=C(c1ccc(=O)n(Cc2cccc(F)c2)n1)N1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C26H22F2N6O2/c27-20-6-4-19(5-7-20)23-15-24(30-17-29-23)32-10-12-33(13-11-32)26(36)22-8-9-25(35)34(31-22)16-18-2-1-3-21(28)14-18/h1-9,14-15,17H,10-13,16H2
InChIKeyYIUBJDMKBBMGHL-UHFFFAOYSA-N
MW488.50 g/mol
LogP2.99
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one

2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 121107255) has the molecular formula C26H22F2N6O2 and a molecular weight of 488.50 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one
PubChem CID121107255
Molecular FormulaC26H22F2N6O2
Molecular Weight488.50 g/mol
Exact Mass488.18
IUPAC Name2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one
SMILESO=C(c1ccc(=O)n(Cc2cccc(F)c2)n1)N1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C26H22F2N6O2/c27-20-6-4-19(5-7-20)23-15-24(30-17-29-23)32-10-12-33(13-11-32)26(36)22-8-9-25(35)34(31-22)16-18-2-1-3-21(28)14-18/h1-9,14-15,17H,10-13,16H2
InChIKeyYIUBJDMKBBMGHL-UHFFFAOYSA-N
XLogP2.99
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one with MolForge

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Related Compounds

6-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 121059753
6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 122279363
6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 90516792
6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 42161951
3-[2-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one
CID 121107345
(3-bromophenyl)-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121107310
[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 121107167
6-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 90516980
[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-iodophenyl)methanone
CID 121107340
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 56764803
3H-benzimidazol-5-yl-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121107289
[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516795

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one (CID 121107255) is 2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one is O=C(c1ccc(=O)n(Cc2cccc(F)c2)n1)N1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is YIUBJDMKBBMGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O2/c27-20-6-4-19(5-7-20)23-15-24(30-17-29-23)32-10-12-33(13-11-32)26(36)22-8-9-25(35)34(31-22)16-18-2-1-3-21(28)14-18/h1-9,14-15,17H,10-13,16H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one?
2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 488.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 121107255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).