[(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone

C17H20N4O2 — CID 97386548

IUPAC[(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2occc2C)nn1
InChIInChI=1S/C17H20N4O2/c1-11-7-10-23-16(11)17(22)21-9-6-13-14(21)5-8-20(13)15-4-3-12(2)18-19-15/h3-4,7,10,13-14H,5-6,8-9H2,1-2H3/t13-,14+/m0/s1
InChIKeyMDLOVUUQVAZBKT-UONOGXRCSA-N
MW312.37 g/mol
LogP2.18
Rot. Bonds2

About [(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone

[(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 97386548) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone
PubChem CID97386548
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2occc2C)nn1
InChIInChI=1S/C17H20N4O2/c1-11-7-10-23-16(11)17(22)21-9-6-13-14(21)5-8-20(13)15-4-3-12(2)18-19-15/h3-4,7,10,13-14H,5-6,8-9H2,1-2H3/t13-,14+/m0/s1
InChIKeyMDLOVUUQVAZBKT-UONOGXRCSA-N
XLogP2.18
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone with MolForge

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Related Compounds

3-[(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carbonyl]benzonitrile;2,2,2-trifluoroacetic acid
CID 155823561
[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 129372840
2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79547381
1,4-diazabicyclo[3.2.2]nonan-4-yl-(3-methylfuran-2-yl)methanone;hydrochloride
CID 68597482
1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 3150890
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446
[(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 133142985
[2-(hydroxymethyl)azepan-1-yl]-(3-methylfuran-2-yl)methanone
CID 116636174
[2-(chloromethyl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 63395106
1-(6-methylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
CID 82236002
3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24711279
(3aR,6aS)-1-(3-methylfuran-2-carbonyl)-4-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;2,2,2-trifluoroacetic acid
CID 155856201

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone (CID 97386548) is [(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone is Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2occc2C)nn1.
What is the InChIKey of [(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is MDLOVUUQVAZBKT-UONOGXRCSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-7-10-23-16(11)17(22)21-9-6-13-14(21)5-8-20(13)15-4-3-12(2)18-19-15/h3-4,7,10,13-14H,5-6,8-9H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of [(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone?
[(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-1-(6-methylpyridazin-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 97386548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).