[(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone

C15H23N3O3 — CID 97485557

IUPAC[(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CC[C@H](OC)[C@H]2OCC[C@@H]21
InChIInChI=1S/C15H23N3O3/c1-4-18-12(9-10(2)16-18)15(19)17-7-5-13(20-3)14-11(17)6-8-21-14/h9,11,13-14H,4-8H2,1-3H3/t11-,13-,14-/m0/s1
InChIKeyDNGXADOFDLOSKB-UBHSHLNASA-N
MW293.37 g/mol
LogP1.23
Rot. Bonds3

About [(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone

[(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone (PubChem CID 97485557) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
PubChem CID97485557
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CC[C@H](OC)[C@H]2OCC[C@@H]21
InChIInChI=1S/C15H23N3O3/c1-4-18-12(9-10(2)16-18)15(19)17-7-5-13(20-3)14-11(17)6-8-21-14/h9,11,13-14H,4-8H2,1-3H3/t11-,13-,14-/m0/s1
InChIKeyDNGXADOFDLOSKB-UBHSHLNASA-N
XLogP1.23
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone with MolForge

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Related Compounds

[(4aS,7S,7aR)-7-(cyclopropylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 97365911
(9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 131653575
(2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95292643
[(3aS,7R,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-methylfuran-3-yl)methanone
CID 97484389
(2-ethyl-5-methylpyrazol-3-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone
CID 154861911
[(3aR,7R,7aR)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(1-benzofuran-2-yl)methanone
CID 124788545
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 78991936
1-[(3aS,7R,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(2-methylphenoxy)ethanone
CID 97477868
(2-ethyl-5-methylpyrazol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 66122618
1-[(3aS,7R,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 97485402
1-[(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-3-(4-ethoxyphenyl)propan-1-one
CID 97485211

Frequently Asked Questions

What is the IUPAC name of [(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The IUPAC name of [(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone (CID 97485557) is [(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone is CCn1nc(C)cc1C(=O)N1CC[C@H](OC)[C@H]2OCC[C@@H]21.
What is the InChIKey of [(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The InChIKey is DNGXADOFDLOSKB-UBHSHLNASA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-18-12(9-10(2)16-18)15(19)17-7-5-13(20-3)14-11(17)6-8-21-14/h9,11,13-14H,4-8H2,1-3H3/t11-,13-,14-/m0/s1.
What are the key properties of [(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
[(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7S,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 97485557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).