[6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

C19H25N7O — CID 126933336

IUPAC[6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCc1ncnc(N2CC3CN(C(=O)c4ccc(N(C)C)nn4)CC3C2)c1C
InChIInChI=1S/C19H25N7O/c1-12-13(2)20-11-21-18(12)25-7-14-9-26(10-15(14)8-25)19(27)16-5-6-17(23-22-16)24(3)4/h5-6,11,14-15H,7-10H2,1-4H3
InChIKeyPUKAZOUFNUXGFB-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.16
Rot. Bonds3

About [6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

[6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (PubChem CID 126933336) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is [6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.

Molecular Properties

Compound Name[6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
PubChem CID126933336
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name[6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCc1ncnc(N2CC3CN(C(=O)c4ccc(N(C)C)nn4)CC3C2)c1C
InChIInChI=1S/C19H25N7O/c1-12-13(2)20-11-21-18(12)25-7-14-9-26(10-15(14)8-25)19(27)16-5-6-17(23-22-16)24(3)4/h5-6,11,14-15H,7-10H2,1-4H3
InChIKeyPUKAZOUFNUXGFB-UHFFFAOYSA-N
XLogP1.16
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone with MolForge

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Related Compounds

[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 126933338
2,3-dihydro-1,4-benzodioxin-5-yl-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 126933296
[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
CID 126890444
(3R,4R)-1-[6-(dimethylamino)pyridazine-3-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 166254691
[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
CID 126890824
5-(5,6-dimethylpyrimidin-4-yl)-2-pyrimidin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933577
1-[1-[1-[6-(dimethylamino)pyridazine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946005
[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95777882
[6-(dimethylamino)pyridazin-3-yl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759729
2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933353
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
CID 56511219
2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933437

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (CID 126933336) is [6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.
What is the SMILES notation for [6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The canonical SMILES for [6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is Cc1ncnc(N2CC3CN(C(=O)c4ccc(N(C)C)nn4)CC3C2)c1C.
What is the InChIKey of [6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The InChIKey is PUKAZOUFNUXGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-12-13(2)20-11-21-18(12)25-7-14-9-26(10-15(14)8-25)19(27)16-5-6-17(23-22-16)24(3)4/h5-6,11,14-15H,7-10H2,1-4H3.
What are the key properties of [6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
[6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone has a molecular weight of 367.46 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is sourced from PubChem (CID 126933336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).