(7S)-7-[(2,5-difluorophenyl)methoxy]-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine

C19H21F2N3O — CID 11952353

IUPAC(7S)-7-[(2,5-difluorophenyl)methoxy]-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1ccc(F)c(CO[C@H]2CCc3ccc(N4CCNCC4)nc32)c1
InChIInChI=1S/C19H21F2N3O/c20-15-3-4-16(21)14(11-15)12-25-17-5-1-13-2-6-18(23-19(13)17)24-9-7-22-8-10-24/h2-4,6,11,17,22H,1,5,7-10,12H2/t17-/m0/s1
InChIKeyPUSWEWCVDWRQPZ-KRWDZBQOSA-N
MW345.39 g/mol
LogP2.97
Rot. Bonds4

About (7S)-7-[(2,5-difluorophenyl)methoxy]-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine

(7S)-7-[(2,5-difluorophenyl)methoxy]-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 11952353) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is (7S)-7-[(2,5-difluorophenyl)methoxy]-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name(7S)-7-[(2,5-difluorophenyl)methoxy]-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID11952353
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name(7S)-7-[(2,5-difluorophenyl)methoxy]-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1ccc(F)c(CO[C@H]2CCc3ccc(N4CCNCC4)nc32)c1
InChIInChI=1S/C19H21F2N3O/c20-15-3-4-16(21)14(11-15)12-25-17-5-1-13-2-6-18(23-19(13)17)24-9-7-22-8-10-24/h2-4,6,11,17,22H,1,5,7-10,12H2/t17-/m0/s1
InChIKeyPUSWEWCVDWRQPZ-KRWDZBQOSA-N
XLogP2.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[(2,5-difluorophenyl)methoxy]-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of (7S)-7-[(2,5-difluorophenyl)methoxy]-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 11952353) is (7S)-7-[(2,5-difluorophenyl)methoxy]-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for (7S)-7-[(2,5-difluorophenyl)methoxy]-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for (7S)-7-[(2,5-difluorophenyl)methoxy]-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine is Fc1ccc(F)c(CO[C@H]2CCc3ccc(N4CCNCC4)nc32)c1.
What is the InChIKey of (7S)-7-[(2,5-difluorophenyl)methoxy]-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is PUSWEWCVDWRQPZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21F2N3O/c20-15-3-4-16(21)14(11-15)12-25-17-5-1-13-2-6-18(23-19(13)17)24-9-7-22-8-10-24/h2-4,6,11,17,22H,1,5,7-10,12H2/t17-/m0/s1.
What are the key properties of (7S)-7-[(2,5-difluorophenyl)methoxy]-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
(7S)-7-[(2,5-difluorophenyl)methoxy]-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 345.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[(2,5-difluorophenyl)methoxy]-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 11952353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).