3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

C24H31FN4O — CID 168795037

IUPAC3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCC1(C)C[C@@H](C2C3CC(N)CC3CN2c2ccc(-c3ccc(F)cc3)nn2)CCO1
InChIInChI=1S/C24H31FN4O/c1-24(2)13-16(9-10-30-24)23-20-12-19(26)11-17(20)14-29(23)22-8-7-21(27-28-22)15-3-5-18(25)6-4-15/h3-8,16-17,19-20,23H,9-14,26H2,1-2H3/t16-,17?,19?,20?,23?/m0/s1
InChIKeyBZQFASXZTWAUJL-YUVFIBLFSA-N
MW410.54 g/mol
LogP4.03
Rot. Bonds3

About 3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 168795037) has the molecular formula C24H31FN4O and a molecular weight of 410.54 g/mol. Its IUPAC name is 3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
PubChem CID168795037
Molecular FormulaC24H31FN4O
Molecular Weight410.54 g/mol
Exact Mass410.25
IUPAC Name3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCC1(C)C[C@@H](C2C3CC(N)CC3CN2c2ccc(-c3ccc(F)cc3)nn2)CCO1
InChIInChI=1S/C24H31FN4O/c1-24(2)13-16(9-10-30-24)23-20-12-19(26)11-17(20)14-29(23)22-8-7-21(27-28-22)15-3-5-18(25)6-4-15/h3-8,16-17,19-20,23H,9-14,26H2,1-2H3/t16-,17?,19?,20?,23?/m0/s1
InChIKeyBZQFASXZTWAUJL-YUVFIBLFSA-N
XLogP4.03
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(benzenesulfinyl)pyridazin-3-yl]-3-[(4S)-2,2-dimethyloxan-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 168795018
1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol
CID 133486579
(3S,3aS,5S,6aS)-3-[2-(4-methoxyphenoxy)ethyl]-2-[6-(2,3,5-trifluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 167431555
4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine
CID 133379648
1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273
4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine
CID 133271900
(1S,6R)-9-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methyl-3,9-diazabicyclo[4.2.1]nonane;formic acid
CID 154914836
6-(4-fluorophenyl)pyridazin-3-amine
CID 11030588
3-ethylsulfanyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]azepane
CID 133311303
N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 133473519
3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine
CID 133341779

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of 3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 168795037) is 3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for 3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for 3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is CC1(C)C[C@@H](C2C3CC(N)CC3CN2c2ccc(-c3ccc(F)cc3)nn2)CCO1.
What is the InChIKey of 3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is BZQFASXZTWAUJL-YUVFIBLFSA-N. The full InChI is InChI=1S/C24H31FN4O/c1-24(2)13-16(9-10-30-24)23-20-12-19(26)11-17(20)14-29(23)22-8-7-21(27-28-22)15-3-5-18(25)6-4-15/h3-8,16-17,19-20,23H,9-14,26H2,1-2H3/t16-,17?,19?,20?,23?/m0/s1.
What are the key properties of 3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 410.54 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2,2-dimethyloxan-4-yl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 168795037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).