6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol

C22H27FN2O3 — CID 134454656

IUPAC6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol
SMILESCOc1ccc(F)c(OC2C[C@@H]3CN(CC(C)c4ccc(O)cn4)C[C@@H]3C2)c1
InChIInChI=1S/C22H27FN2O3/c1-14(21-6-3-17(26)10-24-21)11-25-12-15-7-19(8-16(15)13-25)28-22-9-18(27-2)4-5-20(22)23/h3-6,9-10,14-16,19,26H,7-8,11-13H2,1-2H3/t14?,15-,16+,19?
InChIKeyWWTMWPPFXQHQDV-VVVNUSAQSA-N
MW386.47 g/mol
LogP3.83
Rot. Bonds6

About 6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol

6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol (PubChem CID 134454656) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol
PubChem CID134454656
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol
SMILESCOc1ccc(F)c(OC2C[C@@H]3CN(CC(C)c4ccc(O)cn4)C[C@@H]3C2)c1
InChIInChI=1S/C22H27FN2O3/c1-14(21-6-3-17(26)10-24-21)11-25-12-15-7-19(8-16(15)13-25)28-22-9-18(27-2)4-5-20(22)23/h3-6,9-10,14-16,19,26H,7-8,11-13H2,1-2H3/t14?,15-,16+,19?
InChIKeyWWTMWPPFXQHQDV-VVVNUSAQSA-N
XLogP3.83
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol?
The IUPAC name of 6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol (CID 134454656) is 6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol.
What is the SMILES notation for 6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol?
The canonical SMILES for 6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol is COc1ccc(F)c(OC2C[C@@H]3CN(CC(C)c4ccc(O)cn4)C[C@@H]3C2)c1.
What is the InChIKey of 6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol?
The InChIKey is WWTMWPPFXQHQDV-VVVNUSAQSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-14(21-6-3-17(26)10-24-21)11-25-12-15-7-19(8-16(15)13-25)28-22-9-18(27-2)4-5-20(22)23/h3-6,9-10,14-16,19,26H,7-8,11-13H2,1-2H3/t14?,15-,16+,19?.
What are the key properties of 6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol?
6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol has a molecular weight of 386.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol is sourced from PubChem (CID 134454656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).