(7S)-7-[(3-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine

C20H24FN3O — CID 11952354

IUPAC(7S)-7-[(3-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESC[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cccc(F)c1)CC2
InChIInChI=1S/C20H24FN3O/c1-14-12-22-9-10-24(14)19-8-6-16-5-7-18(20(16)23-19)25-13-15-3-2-4-17(21)11-15/h2-4,6,8,11,14,18,22H,5,7,9-10,12-13H2,1H3/t14-,18+/m1/s1
InChIKeyBWBFFMKOHWNWKC-KDOFPFPSSA-N
MW341.43 g/mol
LogP3.22
Rot. Bonds4

About (7S)-7-[(3-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine

(7S)-7-[(3-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 11952354) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is (7S)-7-[(3-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name(7S)-7-[(3-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID11952354
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name(7S)-7-[(3-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESC[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cccc(F)c1)CC2
InChIInChI=1S/C20H24FN3O/c1-14-12-22-9-10-24(14)19-8-6-16-5-7-18(20(16)23-19)25-13-15-3-2-4-17(21)11-15/h2-4,6,8,11,14,18,22H,5,7,9-10,12-13H2,1H3/t14-,18+/m1/s1
InChIKeyBWBFFMKOHWNWKC-KDOFPFPSSA-N
XLogP3.22
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[(3-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of (7S)-7-[(3-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 11952354) is (7S)-7-[(3-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for (7S)-7-[(3-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for (7S)-7-[(3-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine is C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cccc(F)c1)CC2.
What is the InChIKey of (7S)-7-[(3-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is BWBFFMKOHWNWKC-KDOFPFPSSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-14-12-22-9-10-24(14)19-8-6-16-5-7-18(20(16)23-19)25-13-15-3-2-4-17(21)11-15/h2-4,6,8,11,14,18,22H,5,7,9-10,12-13H2,1H3/t14-,18+/m1/s1.
What are the key properties of (7S)-7-[(3-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
(7S)-7-[(3-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 341.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[(3-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 11952354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).