[3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

C21H21N5O2 — CID 119071365

IUPAC[3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCc1ccc(-c2cccc(C(=O)N3CCC(Oc4ncccn4)CC3)c2)nn1
InChIInChI=1S/C21H21N5O2/c1-15-6-7-19(25-24-15)16-4-2-5-17(14-16)20(27)26-12-8-18(9-13-26)28-21-22-10-3-11-23-21/h2-7,10-11,14,18H,8-9,12-13H2,1H3
InChIKeyMTXGZHJJWUHKNV-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.93
Rot. Bonds4

About [3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

[3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 119071365) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is [3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID119071365
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name[3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCc1ccc(-c2cccc(C(=O)N3CCC(Oc4ncccn4)CC3)c2)nn1
InChIInChI=1S/C21H21N5O2/c1-15-6-7-19(25-24-15)16-4-2-5-17(14-16)20(27)26-12-8-18(9-13-26)28-21-22-10-3-11-23-21/h2-7,10-11,14,18H,8-9,12-13H2,1H3
InChIKeyMTXGZHJJWUHKNV-UHFFFAOYSA-N
XLogP2.93
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one
CID 122568229
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558697
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
CID 72717309
(4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558657
(2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558762
[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 146135225
1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidine-4-carbonitrile
CID 134803644
(2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558763
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
(3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638662
(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 74242805

Frequently Asked Questions

What is the IUPAC name of [3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of [3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 119071365) is [3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is Cc1ccc(-c2cccc(C(=O)N3CCC(Oc4ncccn4)CC3)c2)nn1.
What is the InChIKey of [3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is MTXGZHJJWUHKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-15-6-7-19(25-24-15)16-4-2-5-17(14-16)20(27)26-12-8-18(9-13-26)28-21-22-10-3-11-23-21/h2-7,10-11,14,18H,8-9,12-13H2,1H3.
What are the key properties of [3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
[3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 375.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 119071365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).