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

C20H23ClFN3O — CID 11949708

IUPAC(7S)-7-[(2-chloro-5-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESC[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cc(F)ccc1Cl)CC2
InChIInChI=1S/C20H23ClFN3O/c1-13-11-23-8-9-25(13)19-7-3-14-2-6-18(20(14)24-19)26-12-15-10-16(22)4-5-17(15)21/h3-5,7,10,13,18,23H,2,6,8-9,11-12H2,1H3/t13-,18+/m1/s1
InChIKeyJIZWOSIRFHCLFH-ACJLOTCBSA-N
MW375.88 g/mol
LogP3.88
Rot. Bonds4

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

(7S)-7-[(2-chloro-5-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 11949708) has the molecular formula C20H23ClFN3O and a molecular weight of 375.88 g/mol. Its IUPAC name is (7S)-7-[(2-chloro-5-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name(7S)-7-[(2-chloro-5-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID11949708
Molecular FormulaC20H23ClFN3O
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC Name(7S)-7-[(2-chloro-5-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESC[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cc(F)ccc1Cl)CC2
InChIInChI=1S/C20H23ClFN3O/c1-13-11-23-8-9-25(13)19-7-3-14-2-6-18(20(14)24-19)26-12-15-10-16(22)4-5-17(15)21/h3-5,7,10,13,18,23H,2,6,8-9,11-12H2,1H3/t13-,18+/m1/s1
InChIKeyJIZWOSIRFHCLFH-ACJLOTCBSA-N
XLogP3.88
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[(2-chloro-5-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of (7S)-7-[(2-chloro-5-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 11949708) is (7S)-7-[(2-chloro-5-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for (7S)-7-[(2-chloro-5-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for (7S)-7-[(2-chloro-5-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine is C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cc(F)ccc1Cl)CC2.
What is the InChIKey of (7S)-7-[(2-chloro-5-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is JIZWOSIRFHCLFH-ACJLOTCBSA-N. The full InChI is InChI=1S/C20H23ClFN3O/c1-13-11-23-8-9-25(13)19-7-3-14-2-6-18(20(14)24-19)26-12-15-10-16(22)4-5-17(15)21/h3-5,7,10,13,18,23H,2,6,8-9,11-12H2,1H3/t13-,18+/m1/s1.
What are the key properties of (7S)-7-[(2-chloro-5-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
(7S)-7-[(2-chloro-5-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 375.88 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[(2-chloro-5-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 11949708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).