[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone

C19H24N6O2 — CID 122346913

IUPAC[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
SMILESCc1ccnc(Nc2ccc(N3CCN(C(=O)C4CCOC4)CC3)nn2)c1
InChIInChI=1S/C19H24N6O2/c1-14-4-6-20-17(12-14)21-16-2-3-18(23-22-16)24-7-9-25(10-8-24)19(26)15-5-11-27-13-15/h2-4,6,12,15H,5,7-11,13H2,1H3,(H,20,21,22)
InChIKeyMDTHAZTXQXWCGS-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.61
Rot. Bonds4

About [4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone

[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 122346913) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is [4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
PubChem CID122346913
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
SMILESCc1ccnc(Nc2ccc(N3CCN(C(=O)C4CCOC4)CC3)nn2)c1
InChIInChI=1S/C19H24N6O2/c1-14-4-6-20-17(12-14)21-16-2-3-18(23-22-16)24-7-9-25(10-8-24)19(26)15-5-11-27-13-15/h2-4,6,12,15H,5,7-11,13H2,1H3,(H,20,21,22)
InChIKeyMDTHAZTXQXWCGS-UHFFFAOYSA-N
XLogP1.61
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347425
5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121064759
(3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064735
(5-methyl-1,2-oxazol-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346877
(2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346868
cyclopropyl-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350203
oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347928
(6-methoxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346962
(6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346966
(2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064734
1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone
CID 121064730
N-(3,4-dimethylphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 121064676

Frequently Asked Questions

What is the IUPAC name of [4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone (CID 122346913) is [4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone is Cc1ccnc(Nc2ccc(N3CCN(C(=O)C4CCOC4)CC3)nn2)c1.
What is the InChIKey of [4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is MDTHAZTXQXWCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-14-4-6-20-17(12-14)21-16-2-3-18(23-22-16)24-7-9-25(10-8-24)19(26)15-5-11-27-13-15/h2-4,6,12,15H,5,7-11,13H2,1H3,(H,20,21,22).
What are the key properties of [4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone?
[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 368.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 122346913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).