(4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine

C17H28N2O3 — CID 133141033

IUPAC(4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
SMILESCOCCN1C[C@H]2[C@H](OC)CCN(Cc3ccc(C)o3)[C@H]2C1
InChIInChI=1S/C17H28N2O3/c1-13-4-5-14(22-13)10-19-7-6-17(21-3)15-11-18(8-9-20-2)12-16(15)19/h4-5,15-17H,6-12H2,1-3H3/t15-,16+,17-/m1/s1
InChIKeyBHUIVLPQQVXPIZ-IXDOHACOSA-N
MW308.42 g/mol
LogP1.76
Rot. Bonds6

About (4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine

(4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine (PubChem CID 133141033) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is (4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name(4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
PubChem CID133141033
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name(4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
SMILESCOCCN1C[C@H]2[C@H](OC)CCN(Cc3ccc(C)o3)[C@H]2C1
InChIInChI=1S/C17H28N2O3/c1-13-4-5-14(22-13)10-19-7-6-17(21-3)15-11-18(8-9-20-2)12-16(15)19/h4-5,15-17H,6-12H2,1-3H3/t15-,16+,17-/m1/s1
InChIKeyBHUIVLPQQVXPIZ-IXDOHACOSA-N
XLogP1.76
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine 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

(4R,4aS,7aS)-1-(furan-3-ylmethyl)-4-methoxy-6-(2-methoxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97477513
(4S,4aS,7aS)-4-methoxy-1-[(5-methylfuran-2-yl)methyl]-6-(pyridin-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171696198
(4R,4aS,7aS)-4-methoxy-6-(2-methoxyethyl)-1-(thiophen-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155825657
(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
(4R,4aR,7aR)-1-(furan-2-ylmethyl)-4-methoxy-6-(pyridin-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 124790645
[(4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 133136214
1-[(4R,4aS,7aS)-4-methoxy-6-(2-methoxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-3-phenylpropan-1-one
CID 97420773
[(4S,4aS,7aS)-4-methoxy-6-(2-methoxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(4-methyl-2-pyridinyl)methanone
CID 97423266
[(4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(3,4-difluorophenyl)methanone
CID 133144282
(3aR,6aS)-1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124521499
(4R,4aR,7aR)-6-(cyclopropylmethyl)-1-(furan-3-ylmethyl)-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 124788912
(3aS,6aR)-4-[(5-methylfuran-2-yl)methyl]-1-prop-2-enyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124815874

Frequently Asked Questions

What is the IUPAC name of (4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine?
The IUPAC name of (4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine (CID 133141033) is (4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for (4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for (4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine is COCCN1C[C@H]2[C@H](OC)CCN(Cc3ccc(C)o3)[C@H]2C1.
What is the InChIKey of (4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine?
The InChIKey is BHUIVLPQQVXPIZ-IXDOHACOSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13-4-5-14(22-13)10-19-7-6-17(21-3)15-11-18(8-9-20-2)12-16(15)19/h4-5,15-17H,6-12H2,1-3H3/t15-,16+,17-/m1/s1.
What are the key properties of (4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine?
(4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine has a molecular weight of 308.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,7aR)-4-methoxy-6-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 133141033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).