(2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C20H18Cl2N6O — CID 42111892

IUPAC(2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1
InChIInChI=1S/C20H18Cl2N6O/c21-14-3-4-16(17(22)12-14)20(29)28-10-8-27(9-11-28)19-6-5-18(25-26-19)24-15-2-1-7-23-13-15/h1-7,12-13H,8-11H2,(H,24,25)
InChIKeyRTVXMGNUPPCPMV-UHFFFAOYSA-N
MW429.31 g/mol
LogP3.88
Rot. Bonds4

About (2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

(2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 42111892) has the molecular formula C20H18Cl2N6O and a molecular weight of 429.31 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID42111892
Molecular FormulaC20H18Cl2N6O
Molecular Weight429.31 g/mol
Exact Mass428.09
IUPAC Name(2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1
InChIInChI=1S/C20H18Cl2N6O/c21-14-3-4-16(17(22)12-14)20(29)28-10-8-27(9-11-28)19-6-5-18(25-26-19)24-15-2-1-7-23-13-15/h1-7,12-13H,8-11H2,(H,24,25)
InChIKeyRTVXMGNUPPCPMV-UHFFFAOYSA-N
XLogP3.88
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chloro-4-nitrophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121065067
[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122347688
pyridin-4-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347569
(3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42111887
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065023
(1-methyltriazol-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347660
[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122347680
1-adamantyl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347614
1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347643
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347645
(2,4-dichlorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034163
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 42111913

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 42111892) is (2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1.
What is the InChIKey of (2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is RTVXMGNUPPCPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N6O/c21-14-3-4-16(17(22)12-14)20(29)28-10-8-27(9-11-28)19-6-5-18(25-26-19)24-15-2-1-7-23-13-15/h1-7,12-13H,8-11H2,(H,24,25).
What are the key properties of (2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
(2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 429.31 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 42111892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).