3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone

C20H30N4O — CID 175648275

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone
SMILESCC(C)(C)c1ccc(N2CCC(C(=O)N3CC4CCCC4C3)C2)nn1
InChIInChI=1S/C20H30N4O/c1-20(2,3)17-7-8-18(22-21-17)23-10-9-16(13-23)19(25)24-11-14-5-4-6-15(14)12-24/h7-8,14-16H,4-6,9-13H2,1-3H3
InChIKeyKCOICCTZVATLCE-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.86
Rot. Bonds2

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone (PubChem CID 175648275) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone
PubChem CID175648275
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone
SMILESCC(C)(C)c1ccc(N2CCC(C(=O)N3CC4CCCC4C3)C2)nn1
InChIInChI=1S/C20H30N4O/c1-20(2,3)17-7-8-18(22-21-17)23-10-9-16(13-23)19(25)24-11-14-5-4-6-15(14)12-24/h7-8,14-16H,4-6,9-13H2,1-3H3
InChIKeyKCOICCTZVATLCE-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone with MolForge

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Related Compounds

[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163352719
(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
CID 134595598
N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide
CID 165434484
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806
1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 121118396
3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine
CID 171691198
[2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone
CID 146080091
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone
CID 175648087
1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine
CID 116972417
1-(6-tert-butylpyridazin-3-yl)piperidin-4-amine
CID 116972368
1-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603329
(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118558

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone (CID 175648275) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone is CC(C)(C)c1ccc(N2CCC(C(=O)N3CC4CCCC4C3)C2)nn1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone?
The InChIKey is KCOICCTZVATLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-20(2,3)17-7-8-18(22-21-17)23-10-9-16(13-23)19(25)24-11-14-5-4-6-15(14)12-24/h7-8,14-16H,4-6,9-13H2,1-3H3.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone has a molecular weight of 342.49 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 175648275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).