(3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C22H28FN5O — CID 122335846

IUPAC(3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)cc1F
InChIInChI=1S/C22H28FN5O/c1-16-6-7-18(15-19(16)23)22(29)27-13-11-26(12-14-27)20-8-9-21(25-24-20)28-10-4-3-5-17(28)2/h6-9,15,17H,3-5,10-14H2,1-2H3
InChIKeyYGKVBFBTQBPGDA-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.27
Rot. Bonds3

About (3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

(3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122335846) has the molecular formula C22H28FN5O and a molecular weight of 397.50 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID122335846
Molecular FormulaC22H28FN5O
Molecular Weight397.50 g/mol
Exact Mass397.23
IUPAC Name(3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)cc1F
InChIInChI=1S/C22H28FN5O/c1-16-6-7-18(15-19(16)23)22(29)27-13-11-26(12-14-27)20-8-9-21(25-24-20)28-10-4-3-5-17(28)2/h6-9,15,17H,3-5,10-14H2,1-2H3
InChIKeyYGKVBFBTQBPGDA-UHFFFAOYSA-N
XLogP3.27
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053897
(3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053406
N-(3-fluoro-4-methylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335740
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 122335889
[4-(dimethylamino)phenyl]-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335819
1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053393
1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335774
(3,4-difluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334310
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122335890
N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335723
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 122335765
N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335737

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122335846) is (3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is YGKVBFBTQBPGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O/c1-16-6-7-18(15-19(16)23)22(29)27-13-11-26(12-14-27)20-8-9-21(25-24-20)28-10-4-3-5-17(28)2/h6-9,15,17H,3-5,10-14H2,1-2H3.
What are the key properties of (3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
(3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 397.50 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122335846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).