(3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

C18H21FN4 — CID 175791551

IUPAC(3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESFc1cccc(CN2C[C@H]3CC(Nc4cccnn4)C[C@H]3C2)c1
InChIInChI=1S/C18H21FN4/c19-16-4-1-3-13(7-16)10-23-11-14-8-17(9-15(14)12-23)21-18-5-2-6-20-22-18/h1-7,14-15,17H,8-12H2,(H,21,22)/t14-,15+,17?
InChIKeyMNBXCQSUBZMNMJ-FKEKPDDDSA-N
MW312.39 g/mol
LogP2.94
Rot. Bonds4

About (3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

(3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 175791551) has the molecular formula C18H21FN4 and a molecular weight of 312.39 g/mol. Its IUPAC name is (3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name(3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
PubChem CID175791551
Molecular FormulaC18H21FN4
Molecular Weight312.39 g/mol
Exact Mass312.18
IUPAC Name(3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESFc1cccc(CN2C[C@H]3CC(Nc4cccnn4)C[C@H]3C2)c1
InChIInChI=1S/C18H21FN4/c19-16-4-1-3-13(7-16)10-23-11-14-8-17(9-15(14)12-23)21-18-5-2-6-20-22-18/h1-7,14-15,17H,8-12H2,(H,21,22)/t14-,15+,17?
InChIKeyMNBXCQSUBZMNMJ-FKEKPDDDSA-N
XLogP2.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 131662432
5-[(3-fluorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 131658032
2-fluoro-5-[[4-(pyridazin-3-ylamino)piperidin-1-yl]methyl]benzonitrile
CID 154779916
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone
CID 70730781
N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83994969
5-cyclopropylsulfonyl-2-[(3-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 131643359
(3aR,4R,6aS)-2-(1H-indol-5-ylmethyl)-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 118739824
(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 125136005
(3aS,6aR)-2-[[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 139598668
(3aR,6aS)-N-[6-(3-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 156899383
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542187

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of (3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 175791551) is (3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for (3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for (3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is Fc1cccc(CN2C[C@H]3CC(Nc4cccnn4)C[C@H]3C2)c1.
What is the InChIKey of (3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is MNBXCQSUBZMNMJ-FKEKPDDDSA-N. The full InChI is InChI=1S/C18H21FN4/c19-16-4-1-3-13(7-16)10-23-11-14-8-17(9-15(14)12-23)21-18-5-2-6-20-22-18/h1-7,14-15,17H,8-12H2,(H,21,22)/t14-,15+,17?.
What are the key properties of (3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
(3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 312.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 175791551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).