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

C20H23F2N3O — CID 11949706

IUPAC(7S)-7-[(2,5-difluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESC[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cc(F)ccc1F)CC2
InChIInChI=1S/C20H23F2N3O/c1-13-11-23-8-9-25(13)19-7-3-14-2-6-18(20(14)24-19)26-12-15-10-16(21)4-5-17(15)22/h3-5,7,10,13,18,23H,2,6,8-9,11-12H2,1H3/t13-,18+/m1/s1
InChIKeyYNTPOJIODZIOEU-ACJLOTCBSA-N
MW359.42 g/mol
LogP3.36
Rot. Bonds4

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

(7S)-7-[(2,5-difluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 11949706) has the molecular formula C20H23F2N3O and a molecular weight of 359.42 g/mol. Its IUPAC name is (7S)-7-[(2,5-difluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name(7S)-7-[(2,5-difluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID11949706
Molecular FormulaC20H23F2N3O
Molecular Weight359.42 g/mol
Exact Mass359.18
IUPAC Name(7S)-7-[(2,5-difluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESC[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cc(F)ccc1F)CC2
InChIInChI=1S/C20H23F2N3O/c1-13-11-23-8-9-25(13)19-7-3-14-2-6-18(20(14)24-19)26-12-15-10-16(21)4-5-17(15)22/h3-5,7,10,13,18,23H,2,6,8-9,11-12H2,1H3/t13-,18+/m1/s1
InChIKeyYNTPOJIODZIOEU-ACJLOTCBSA-N
XLogP3.36
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-7-(5-fluoro-2-methylbenzyloxy)-2-((R)-2-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 11949710
(S)-7-(2,5-difluorobenzyloxy)-2-(piperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 11952353
2-(2,5-Dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24799187
6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine
CID 24799364
N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 24799365
1-Methyl-4-(6-(((4-phenylpiperidin-4-yl)methoxy)methyl)-4-(trifluoromethyl)pyridine-2-yl)piperazine
CID 24800577
2-[(4-Phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine
CID 24800578
6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine
CID 24800743
(9R,13R)-4-(methoxymethyl)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 44409101
(9R,13R)-4-(cyclopropylmethoxymethyl)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 44409290
(9R,13R)-4-[(1S)-1-ethoxyethyl]-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 44409327
(9R,13R)-4-[(1R)-1-ethoxyethyl]-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 44409332

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[(2,5-difluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of (7S)-7-[(2,5-difluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 11949706) is (7S)-7-[(2,5-difluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for (7S)-7-[(2,5-difluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for (7S)-7-[(2,5-difluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine is C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](OCc1cc(F)ccc1F)CC2.
What is the InChIKey of (7S)-7-[(2,5-difluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is YNTPOJIODZIOEU-ACJLOTCBSA-N. The full InChI is InChI=1S/C20H23F2N3O/c1-13-11-23-8-9-25(13)19-7-3-14-2-6-18(20(14)24-19)26-12-15-10-16(21)4-5-17(15)22/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-[(2,5-difluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
(7S)-7-[(2,5-difluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 359.42 g/mol, XLogP of 3.36, 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-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 11949706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).