(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

C17H25Cl2N5O — CID 154639894

IUPAC(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
SMILESCc1cnn(C)c1-c1ccc(OCC2C[C@H]3CNC[C@H]3C2)nn1.Cl.Cl
InChIInChI=1S/C17H23N5O.2ClH/c1-11-7-19-22(2)17(11)15-3-4-16(21-20-15)23-10-12-5-13-8-18-9-14(13)6-12;;/h3-4,7,12-14,18H,5-6,8-10H2,1-2H3;2*1H/t12?,13-,14+;;
InChIKeyJRQJHWXDOVLDBQ-LCAGCARQSA-N
MW386.33 g/mol
LogP2.65
Rot. Bonds4

About (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

(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 (PubChem CID 154639894) has the molecular formula C17H25Cl2N5O and a molecular weight of 386.33 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID154639894
Molecular FormulaC17H25Cl2N5O
Molecular Weight386.33 g/mol
Exact Mass385.14
IUPAC Name(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
SMILESCc1cnn(C)c1-c1ccc(OCC2C[C@H]3CNC[C@H]3C2)nn1.Cl.Cl
InChIInChI=1S/C17H23N5O.2ClH/c1-11-7-19-22(2)17(11)15-3-4-16(21-20-15)23-10-12-5-13-8-18-9-14(13)6-12;;/h3-4,7,12-14,18H,5-6,8-10H2,1-2H3;2*1H/t12?,13-,14+;;
InChIKeyJRQJHWXDOVLDBQ-LCAGCARQSA-N
XLogP2.65
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

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]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142563548
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
N-[[(3aS,6aR)-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 138578262
2-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxy-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonane
CID 155662109
(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
N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
CID 142611631
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
(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-[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
5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole
CID 166605680
N-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride
CID 154639843

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cnn(C)c1-c1ccc(OCC2C[C@H]3CNC[C@H]3C2)nn1.Cl.Cl.
What is the InChIKey of (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?
The InChIKey is JRQJHWXDOVLDBQ-LCAGCARQSA-N. The full InChI is InChI=1S/C17H23N5O.2ClH/c1-11-7-19-22(2)17(11)15-3-4-16(21-20-15)23-10-12-5-13-8-18-9-14(13)6-12;;/h3-4,7,12-14,18H,5-6,8-10H2,1-2H3;2*1H/t12?,13-,14+;;.
What are the key properties of (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?
(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 has a molecular weight of 386.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;dihydrochloride is sourced from PubChem (CID 154639894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).