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

C24H28FN5O — CID 138578464

IUPAC5-[[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
SMILESCc1cnn(C)c1-c1ccc(OCC2CC3CN(Cc4ccc(F)cc4)CC3C2)nn1
InChIInChI=1S/C24H28FN5O/c1-16-11-26-29(2)24(16)22-7-8-23(28-27-22)31-15-18-9-19-13-30(14-20(19)10-18)12-17-3-5-21(25)6-4-17/h3-8,11,18-20H,9-10,12-15H2,1-2H3
InChIKeyBRBMWMGDKSVSBS-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.86
Rot. Bonds6

About 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

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 (PubChem CID 138578464) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[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
PubChem CID138578464
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC Name5-[[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
SMILESCc1cnn(C)c1-c1ccc(OCC2CC3CN(Cc4ccc(F)cc4)CC3C2)nn1
InChIInChI=1S/C24H28FN5O/c1-16-11-26-29(2)24(16)22-7-8-23(28-27-22)31-15-18-9-19-13-30(14-20(19)10-18)12-17-3-5-21(25)6-4-17/h3-8,11,18-20H,9-10,12-15H2,1-2H3
InChIKeyBRBMWMGDKSVSBS-UHFFFAOYSA-N
XLogP3.86
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

(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
(3aS,6aS)-5-[(4-fluorophenyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 169122987
(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
5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 131653755
3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine
CID 155407269
(3aR,5S,6S,7aS)-2-[(4-fluorophenyl)methyl]-5-(4-methylpyrazol-1-yl)-6-pyridin-2-yloxy-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 154812976
(3aR,6aS)-2-[2-(1-benzylpyrazol-4-yl)propyl]-5-[(4-fluorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 134454529
3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 91139311
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
2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole
CID 163346092

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnn(C)c1-c1ccc(OCC2CC3CN(Cc4ccc(F)cc4)CC3C2)nn1.
What is the InChIKey of 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?
The InChIKey is BRBMWMGDKSVSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-16-11-26-29(2)24(16)22-7-8-23(28-27-22)31-15-18-9-19-13-30(14-20(19)10-18)12-17-3-5-21(25)6-4-17/h3-8,11,18-20H,9-10,12-15H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 421.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138578464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).