(3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C22H23N5 — CID 46225142

IUPAC(3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESc1ccc(-c2ccc(N3C[C@H]4CN(Cc5ccncc5)C[C@H]4C3)nn2)cc1
InChIInChI=1S/C22H23N5/c1-2-4-18(5-3-1)21-6-7-22(25-24-21)27-15-19-13-26(14-20(19)16-27)12-17-8-10-23-11-9-17/h1-11,19-20H,12-16H2/t19-,20+
InChIKeyZUZOACZFTZIAEX-BGYRXZFFSA-N
MW357.46 g/mol
LogP3.11
Rot. Bonds4

About (3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

(3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 46225142) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is (3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID46225142
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name(3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESc1ccc(-c2ccc(N3C[C@H]4CN(Cc5ccncc5)C[C@H]4C3)nn2)cc1
InChIInChI=1S/C22H23N5/c1-2-4-18(5-3-1)21-6-7-22(25-24-21)27-15-19-13-26(14-20(19)16-27)12-17-8-10-23-11-9-17/h1-11,19-20H,12-16H2/t19-,20+
InChIKeyZUZOACZFTZIAEX-BGYRXZFFSA-N
XLogP3.11
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

N, N-dimethyl-6-phenyl-5-(pyridin-4-yl)pyridazin-3-amine
CID 59867354
6-(4-Methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine
CID 59867414
2-Methyl-5-(6-phenyl-pyridazin-3-yl)octahydro-pyrrolo(3,4-c)pyrrole
CID 11173546
4-[6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]isoquinoline
CID 15953828
5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine
CID 24758075
A-582941 free base
CID 44190553
2-(111C)methyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 44815470
5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline
CID 46226147
8-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline
CID 46226148
5-[6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]isoquinoline
CID 46226149
3-Phenyl-6-piperazin-1-yl-4-pyridin-4-ylpyridazine
CID 59867520
6-Fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole
CID 71571569

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 46225142) is (3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is c1ccc(-c2ccc(N3C[C@H]4CN(Cc5ccncc5)C[C@H]4C3)nn2)cc1.
What is the InChIKey of (3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is ZUZOACZFTZIAEX-BGYRXZFFSA-N. The full InChI is InChI=1S/C22H23N5/c1-2-4-18(5-3-1)21-6-7-22(25-24-21)27-15-19-13-26(14-20(19)16-27)12-17-8-10-23-11-9-17/h1-11,19-20H,12-16H2/t19-,20+.
What are the key properties of (3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
(3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 357.46 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-(6-phenylpyridazin-3-yl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 46225142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).