(2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C21H27ClN6O — CID 121038209

IUPAC(2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCN1CCN(c2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)nn2)CC1
InChIInChI=1S/C21H27ClN6O/c1-2-25-9-11-26(12-10-25)19-7-8-20(24-23-19)27-13-15-28(16-14-27)21(29)17-5-3-4-6-18(17)22/h3-8H,2,9-16H2,1H3
InChIKeyMXESOACQZDPBFU-UHFFFAOYSA-N
MW414.94 g/mol
LogP2.23
Rot. Bonds4

About (2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

(2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121038209) has the molecular formula C21H27ClN6O and a molecular weight of 414.94 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121038209
Molecular FormulaC21H27ClN6O
Molecular Weight414.94 g/mol
Exact Mass414.19
IUPAC Name(2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCN1CCN(c2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)nn2)CC1
InChIInChI=1S/C21H27ClN6O/c1-2-25-9-11-26(12-10-25)19-7-8-20(24-23-19)27-13-15-28(16-14-27)21(29)17-5-3-4-6-18(17)22/h3-8H,2,9-16H2,1H3
InChIKeyMXESOACQZDPBFU-UHFFFAOYSA-N
XLogP2.23
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 71791222
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 17223445
(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111739
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111899
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112634
(2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292349
naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053800
ethyl 4-[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109116660
[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 121038204
1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 121038195
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113322
(2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292470

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 121038209) is (2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is CCN1CCN(c2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)nn2)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is MXESOACQZDPBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6O/c1-2-25-9-11-26(12-10-25)19-7-8-20(24-23-19)27-13-15-28(16-14-27)21(29)17-5-3-4-6-18(17)22/h3-8H,2,9-16H2,1H3.
What are the key properties of (2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 414.94 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121038209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).