[2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone

C20H25N5O — CID 146080091

IUPAC[2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone
SMILESCC(C)(C)c1ccc(N2CC3CN(C(=O)c4ccncc4)CC3C2)nn1
InChIInChI=1S/C20H25N5O/c1-20(2,3)17-4-5-18(23-22-17)24-10-15-12-25(13-16(15)11-24)19(26)14-6-8-21-9-7-14/h4-9,15-16H,10-13H2,1-3H3
InChIKeyTVUGIQMBDUOLCA-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.38
Rot. Bonds2

About [2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone

[2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone (PubChem CID 146080091) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is [2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone
PubChem CID146080091
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name[2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone
SMILESCC(C)(C)c1ccc(N2CC3CN(C(=O)c4ccncc4)CC3C2)nn1
InChIInChI=1S/C20H25N5O/c1-20(2,3)17-4-5-18(23-22-17)24-10-15-12-25(13-16(15)11-24)19(26)14-6-8-21-9-7-14/h4-9,15-16H,10-13H2,1-3H3
InChIKeyTVUGIQMBDUOLCA-UHFFFAOYSA-N
XLogP2.38
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone (CID 146080091) is [2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone is CC(C)(C)c1ccc(N2CC3CN(C(=O)c4ccncc4)CC3C2)nn1.
What is the InChIKey of [2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone?
The InChIKey is TVUGIQMBDUOLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-20(2,3)17-4-5-18(23-22-17)24-10-15-12-25(13-16(15)11-24)19(26)14-6-8-21-9-7-14/h4-9,15-16H,10-13H2,1-3H3.
What are the key properties of [2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone?
[2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone has a molecular weight of 351.45 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 146080091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).