1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone

C20H23N3O3 — CID 145052244

IUPAC1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
SMILESCc1ccc(OC2CC3CN(CC(=O)c4ccc(O)cn4)CC3C2)cn1
InChIInChI=1S/C20H23N3O3/c1-13-2-4-17(9-21-13)26-18-6-14-10-23(11-15(14)7-18)12-20(25)19-5-3-16(24)8-22-19/h2-5,8-9,14-15,18,24H,6-7,10-12H2,1H3
InChIKeySIZFAGRIHZDHGV-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.46
Rot. Bonds5

About 1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone

1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone (PubChem CID 145052244) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
PubChem CID145052244
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
SMILESCc1ccc(OC2CC3CN(CC(=O)c4ccc(O)cn4)CC3C2)cn1
InChIInChI=1S/C20H23N3O3/c1-13-2-4-17(9-21-13)26-18-6-14-10-23(11-15(14)7-18)12-20(25)19-5-3-16(24)8-22-19/h2-5,8-9,14-15,18,24H,6-7,10-12H2,1H3
InChIKeySIZFAGRIHZDHGV-UHFFFAOYSA-N
XLogP2.46
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone?
The IUPAC name of 1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone (CID 145052244) is 1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone?
The canonical SMILES for 1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone is Cc1ccc(OC2CC3CN(CC(=O)c4ccc(O)cn4)CC3C2)cn1.
What is the InChIKey of 1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone?
The InChIKey is SIZFAGRIHZDHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-2-4-17(9-21-13)26-18-6-14-10-23(11-15(14)7-18)12-20(25)19-5-3-16(24)8-22-19/h2-5,8-9,14-15,18,24H,6-7,10-12H2,1H3.
What are the key properties of 1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone?
1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone has a molecular weight of 353.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-pyridinyl)-2-[5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone is sourced from PubChem (CID 145052244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).