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

C20H22FN3O2 — CID 97458448

IUPAC[(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN2C[C@H](OCc3ccccn3)C[C@H]2C1
InChIInChI=1S/C20H22FN3O2/c21-16-6-4-15(5-7-16)20(25)24-10-9-23-13-19(11-18(23)12-24)26-14-17-3-1-2-8-22-17/h1-8,18-19H,9-14H2/t18-,19+/m0/s1
InChIKeyRHNSYIHOQKDPKN-RBUKOAKNSA-N
MW355.41 g/mol
LogP2.34
Rot. Bonds4

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

[(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-fluorophenyl)methanone (PubChem CID 97458448) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is [(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-fluorophenyl)methanone
PubChem CID97458448
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name[(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN2C[C@H](OCc3ccccn3)C[C@H]2C1
InChIInChI=1S/C20H22FN3O2/c21-16-6-4-15(5-7-16)20(25)24-10-9-23-13-19(11-18(23)12-24)26-14-17-3-1-2-8-22-17/h1-8,18-19H,9-14H2/t18-,19+/m0/s1
InChIKeyRHNSYIHOQKDPKN-RBUKOAKNSA-N
XLogP2.34
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-fluorophenyl)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-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 73603977
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone
CID 74221949
[3-(1,3-Dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl pyridine-2-carboxylate
CID 57394497
(2-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 74221951
mGlu5R NAM DSR-98776
CID 74222036
2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl pyridine-2-carboxylate
CID 1088748
Pyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 4780284
4-(5-Fluoro-pyridin-2-ylmethoxy)-1-[2-(2-methyl-4-pyrrolidin-1-ylmethyl-phenyl)-2-oxo-ethyl]-1H-pyridin-2-one
CID 86695565
6-N-[(5-fluoro-3-pyridinyl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 89733929
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one
CID 91759549
4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one
CID 91759551
US9840501, Example 53
CID 118484370

Frequently Asked Questions

What is the IUPAC name of [(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-fluorophenyl)methanone (CID 97458448) is [(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCN2C[C@H](OCc3ccccn3)C[C@H]2C1.
What is the InChIKey of [(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-fluorophenyl)methanone?
The InChIKey is RHNSYIHOQKDPKN-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-16-6-4-15(5-7-16)20(25)24-10-9-23-13-19(11-18(23)12-24)26-14-17-3-1-2-8-22-17/h1-8,18-19H,9-14H2/t18-,19+/m0/s1.
What are the key properties of [(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-fluorophenyl)methanone?
[(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-fluorophenyl)methanone has a molecular weight of 355.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 97458448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).