(3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

C19H24N2O3 — CID 97460654

IUPAC(3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESc1cc(COC[C@@H]2CC[C@H]3[C@H](CCN3Cc3ccoc3)O2)ccn1
InChIInChI=1S/C19H24N2O3/c1-2-18-19(5-9-21(18)11-16-6-10-22-13-16)24-17(1)14-23-12-15-3-7-20-8-4-15/h3-4,6-8,10,13,17-19H,1-2,5,9,11-12,14H2/t17-,18-,19-/m0/s1
InChIKeyZXKGSZSEHGEIEV-FHWLQOOXSA-N
MW328.41 g/mol
LogP3.01
Rot. Bonds6

About (3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

(3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (PubChem CID 97460654) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.

Molecular Properties

Compound Name(3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
PubChem CID97460654
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESc1cc(COC[C@@H]2CC[C@H]3[C@H](CCN3Cc3ccoc3)O2)ccn1
InChIInChI=1S/C19H24N2O3/c1-2-18-19(5-9-21(18)11-16-6-10-22-13-16)24-17(1)14-23-12-15-3-7-20-8-4-15/h3-4,6-8,10,13,17-19H,1-2,5,9,11-12,14H2/t17-,18-,19-/m0/s1
InChIKeyZXKGSZSEHGEIEV-FHWLQOOXSA-N
XLogP3.01
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole with MolForge

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

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-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-(furan-3-ylmethyl)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460610
(3aR,5R,7aR)-5-(cyclopropylmethoxymethyl)-1-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;2,2,2-trifluoroacetic acid
CID 171672597
(3aR,7aR)-5-(pyridin-3-ylmethoxymethyl)-1-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 133139446
(3aS,5R,7aS)-5-(pyridin-3-ylmethoxymethyl)-1-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460628
(3aR,5R,7aR)-5-(cyclopropylmethoxymethyl)-1-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97379156
(3aR,7aR)-5-(pyridin-3-ylmethoxymethyl)-1-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 133139383
(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-(cyclopropylmethoxymethyl)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 98894577
(3aR,5S,7aR)-5-(prop-2-enoxymethyl)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124869425
(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

Frequently Asked Questions

What is the IUPAC name of (3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The IUPAC name of (3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (CID 97460654) is (3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.
What is the SMILES notation for (3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The canonical SMILES for (3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is c1cc(COC[C@@H]2CC[C@H]3[C@H](CCN3Cc3ccoc3)O2)ccn1.
What is the InChIKey of (3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The InChIKey is ZXKGSZSEHGEIEV-FHWLQOOXSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-18-19(5-9-21(18)11-16-6-10-22-13-16)24-17(1)14-23-12-15-3-7-20-8-4-15/h3-4,6-8,10,13,17-19H,1-2,5,9,11-12,14H2/t17-,18-,19-/m0/s1.
What are the key properties of (3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
(3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole has a molecular weight of 328.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is sourced from PubChem (CID 97460654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).