2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one

C22H23N5O2 — CID 122566786

IUPAC2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one
SMILESCn1nc(-c2cccc(C(=O)N3CCN(Cc4cccnc4)CC3)c2)ccc1=O
InChIInChI=1S/C22H23N5O2/c1-25-21(28)8-7-20(24-25)18-5-2-6-19(14-18)22(29)27-12-10-26(11-13-27)16-17-4-3-9-23-15-17/h2-9,14-15H,10-13,16H2,1H3
InChIKeyDKAPPJQSVDDLCL-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.80
Rot. Bonds4

About 2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one

2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one (PubChem CID 122566786) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one
PubChem CID122566786
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one
SMILESCn1nc(-c2cccc(C(=O)N3CCN(Cc4cccnc4)CC3)c2)ccc1=O
InChIInChI=1S/C22H23N5O2/c1-25-21(28)8-7-20(24-25)18-5-2-6-19(14-18)22(29)27-12-10-26(11-13-27)16-17-4-3-9-23-15-17/h2-9,14-15H,10-13,16H2,1H3
InChIKeyDKAPPJQSVDDLCL-UHFFFAOYSA-N
XLogP1.80
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluorophenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 46958152
(3-nitrophenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572593
(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119
(4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 46958151
methyl 4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzoate
CID 19572760
[3-[(4-chlorophenoxy)methyl]phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572606
[4-(methylsulfanylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 86915311
(5-iodothiophen-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 78950056
1H-pyrazol-4-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 60785975
(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
(4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone
CID 134803605
(3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 92566200

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one (CID 122566786) is 2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one is Cn1nc(-c2cccc(C(=O)N3CCN(Cc4cccnc4)CC3)c2)ccc1=O.
What is the InChIKey of 2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one?
The InChIKey is DKAPPJQSVDDLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-25-21(28)8-7-20(24-25)18-5-2-6-19(14-18)22(29)27-12-10-26(11-13-27)16-17-4-3-9-23-15-17/h2-9,14-15H,10-13,16H2,1H3.
What are the key properties of 2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one?
2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one has a molecular weight of 389.46 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one is sourced from PubChem (CID 122566786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).