7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane

C22H26FN3 — CID 134242722

IUPAC7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane
SMILESFc1ccc(N2CCC3(CCN(CC4CCc5cccnc54)C3)C2)cc1
InChIInChI=1S/C22H26FN3/c23-19-5-7-20(8-6-19)26-13-10-22(16-26)9-12-25(15-22)14-18-4-3-17-2-1-11-24-21(17)18/h1-2,5-8,11,18H,3-4,9-10,12-16H2
InChIKeyKWSNPXHPPMJZLY-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.85
Rot. Bonds3

About 7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane

7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 134242722) has the molecular formula C22H26FN3 and a molecular weight of 351.47 g/mol. Its IUPAC name is 7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane
PubChem CID134242722
Molecular FormulaC22H26FN3
Molecular Weight351.47 g/mol
Exact Mass351.21
IUPAC Name7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane
SMILESFc1ccc(N2CCC3(CCN(CC4CCc5cccnc54)C3)C2)cc1
InChIInChI=1S/C22H26FN3/c23-19-5-7-20(8-6-19)26-13-10-22(16-26)9-12-25(15-22)14-18-4-3-17-2-1-11-24-21(17)18/h1-2,5-8,11,18H,3-4,9-10,12-16H2
InChIKeyKWSNPXHPPMJZLY-UHFFFAOYSA-N
XLogP3.85
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane (CID 134242722) is 7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane is Fc1ccc(N2CCC3(CCN(CC4CCc5cccnc54)C3)C2)cc1.
What is the InChIKey of 7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is KWSNPXHPPMJZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3/c23-19-5-7-20(8-6-19)26-13-10-22(16-26)9-12-25(15-22)14-18-4-3-17-2-1-11-24-21(17)18/h1-2,5-8,11,18H,3-4,9-10,12-16H2.
What are the key properties of 7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane?
7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 351.47 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 134242722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).