(3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

C20H26N2O3 — CID 124793848

IUPAC(3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESCc1cccc(COC[C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccco3)O2)n1
InChIInChI=1S/C20H26N2O3/c1-15-4-2-5-16(21-15)13-23-14-18-7-8-19-20(25-18)9-10-22(19)12-17-6-3-11-24-17/h2-6,11,18-20H,7-10,12-14H2,1H3/t18-,19+,20+/m0/s1
InChIKeyJPUOFJDGVOPHJD-XUVXKRRUSA-N
MW342.44 g/mol
LogP3.32
Rot. Bonds6

About (3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

(3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (PubChem CID 124793848) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.

Molecular Properties

Compound Name(3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
PubChem CID124793848
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESCc1cccc(COC[C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccco3)O2)n1
InChIInChI=1S/C20H26N2O3/c1-15-4-2-5-16(21-15)13-23-14-18-7-8-19-20(25-18)9-10-22(19)12-17-6-3-11-24-17/h2-6,11,18-20H,7-10,12-14H2,1H3/t18-,19+,20+/m0/s1
InChIKeyJPUOFJDGVOPHJD-XUVXKRRUSA-N
XLogP3.32
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole with MolForge

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Launch Full Analysis

Related Compounds

(3aS,5S,7aS)-1-(furan-2-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97411302
(3aS,5S,7aS)-1-(furan-2-ylmethyl)-5-(prop-2-enoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124869343
(3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 133142108
1-[(3aR,5S,7aR)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-cyclopropylethanone
CID 124793356
(3aS,5S,7aS)-1-(furan-2-ylmethyl)-5-(pyridin-3-yloxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460613
(3aS,7aS)-1-(furan-2-ylmethyl)-5-(pyridin-3-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 171686133
(3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97387074
(3aS,5S,7aS)-1-[(1-methylimidazol-2-yl)methyl]-5-(pyridin-2-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460664
(3aS,5S,7aS)-1-[(5-methylfuran-2-yl)methyl]-5-(prop-2-enoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124817214
(3aS,5R,7aS)-5-(pyridin-2-ylmethoxymethyl)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461270
(3aS,5S,7aS)-5-(methoxymethyl)-1-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124811956
(3aS,5R,7aS)-5-(ethoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97387185

Frequently Asked Questions

What is the IUPAC name of (3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The IUPAC name of (3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (CID 124793848) is (3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.
What is the SMILES notation for (3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The canonical SMILES for (3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is Cc1cccc(COC[C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccco3)O2)n1.
What is the InChIKey of (3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The InChIKey is JPUOFJDGVOPHJD-XUVXKRRUSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-4-2-5-16(21-15)13-23-14-18-7-8-19-20(25-18)9-10-22(19)12-17-6-3-11-24-17/h2-6,11,18-20H,7-10,12-14H2,1H3/t18-,19+,20+/m0/s1.
What are the key properties of (3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
(3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole has a molecular weight of 342.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5S,7aR)-1-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is sourced from PubChem (CID 124793848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).