(3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C23H33N5O2 — CID 142563548

IUPAC(3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCc1cnn(C)c1-c1ccc(OCC2C[C@@H]3CN(CC4CCCOC4)C[C@@H]3C2)nn1
InChIInChI=1S/C23H33N5O2/c1-16-10-24-27(2)23(16)21-5-6-22(26-25-21)30-15-18-8-19-12-28(13-20(19)9-18)11-17-4-3-7-29-14-17/h5-6,10,17-20H,3-4,7-9,11-15H2,1-2H3/t17?,18?,19-,20+
InChIKeyQQUCZRMSZQRBDB-KHSMEXAKSA-N
MW411.55 g/mol
LogP2.95
Rot. Bonds6

About (3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

(3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 142563548) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is (3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID142563548
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name(3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCc1cnn(C)c1-c1ccc(OCC2C[C@@H]3CN(CC4CCCOC4)C[C@@H]3C2)nn1
InChIInChI=1S/C23H33N5O2/c1-16-10-24-27(2)23(16)21-5-6-22(26-25-21)30-15-18-8-19-12-28(13-20(19)9-18)11-17-4-3-7-29-14-17/h5-6,10,17-20H,3-4,7-9,11-15H2,1-2H3/t17?,18?,19-,20+
InChIKeyQQUCZRMSZQRBDB-KHSMEXAKSA-N
XLogP2.95
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

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Related Compounds

6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine
CID 138578699
5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-[(4-fluorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 138578464
(3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;dihydrochloride
CID 154639894
(3aR,6aS)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138578957
(3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142563551
N-[[(3aR)-2-(2,3,3-trimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
CID 156511293
2-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxy-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonane
CID 155662109
(3aS,6aR)-N-[6-(2,5-dimethylphenyl)-4-(trifluoromethyl)pyridazin-3-yl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 156899241
N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 138562182
2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine
CID 124755852
N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
CID 142582623
6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 124752860

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of (3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 142563548) is (3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for (3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for (3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is Cc1cnn(C)c1-c1ccc(OCC2C[C@@H]3CN(CC4CCCOC4)C[C@@H]3C2)nn1.
What is the InChIKey of (3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is QQUCZRMSZQRBDB-KHSMEXAKSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-16-10-24-27(2)23(16)21-5-6-22(26-25-21)30-15-18-8-19-12-28(13-20(19)9-18)11-17-4-3-7-29-14-17/h5-6,10,17-20H,3-4,7-9,11-15H2,1-2H3/t17?,18?,19-,20+.
What are the key properties of (3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
(3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 411.55 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 142563548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).