[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone

C18H21N3O3 — CID 97458371

IUPAC[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCN2C[C@H](Oc3cccnc3)C[C@H]2C1
InChIInChI=1S/C18H21N3O3/c1-13-17(4-8-23-13)18(22)21-7-6-20-12-16(9-14(20)11-21)24-15-3-2-5-19-10-15/h2-5,8,10,14,16H,6-7,9,11-12H2,1H3/t14-,16+/m0/s1
InChIKeyWTCNPXYVCSWTFO-GOEBONIOSA-N
MW327.38 g/mol
LogP1.96
Rot. Bonds3

About [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone

[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 97458371) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone
PubChem CID97458371
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCN2C[C@H](Oc3cccnc3)C[C@H]2C1
InChIInChI=1S/C18H21N3O3/c1-13-17(4-8-23-13)18(22)21-7-6-20-12-16(9-14(20)11-21)24-15-3-2-5-19-10-15/h2-5,8,10,14,16H,6-7,9,11-12H2,1H3/t14-,16+/m0/s1
InChIKeyWTCNPXYVCSWTFO-GOEBONIOSA-N
XLogP1.96
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone 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

(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-furan-3-yl-methanone
CID 42606461
2-methyl-N-(pyridin-3-yl)furan-3-carboxamide
CID 573291
2-methyl-N-(2-pyridinylmethyl)-3-furamide
CID 896600
N,N-Diethyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-isonicotinamide
CID 44319149
US9617282, Example 53
CID 86299716
US9617282, Example 54
CID 86299717
N-cyclopropyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
CID 8035774
Furan-3-yl-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]methanone
CID 37807003
N-[1-(hydroxymethyl)propyl]-2-methyl-N-(pyridin-3-ylmethyl)-3-furamide
CID 46985570
4-[(2-methylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 53577912
N,2-dimethyl-N-[1-methyl-2-(3-methylpyridin-2-yl)ethyl]-3-furamide
CID 56760381
(4aR,7aS)-6-(furan-2-ylmethyl)-4-(pyridin-3-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775018

Frequently Asked Questions

What is the IUPAC name of [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone (CID 97458371) is [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCN2C[C@H](Oc3cccnc3)C[C@H]2C1.
What is the InChIKey of [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is WTCNPXYVCSWTFO-GOEBONIOSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-17(4-8-23-13)18(22)21-7-6-20-12-16(9-14(20)11-21)24-15-3-2-5-19-10-15/h2-5,8,10,14,16H,6-7,9,11-12H2,1H3/t14-,16+/m0/s1.
What are the key properties of [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone?
[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 327.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 97458371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).