[5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone

C24H27N3O3 — CID 42813952

IUPAC[5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1C1c2cccn2CCN1Cc1ccc(C(=O)N2CCCC2)o1
InChIInChI=1S/C24H27N3O3/c1-29-21-9-3-2-7-19(21)23-20-8-6-14-25(20)15-16-27(23)17-18-10-11-22(30-18)24(28)26-12-4-5-13-26/h2-3,6-11,14,23H,4-5,12-13,15-17H2,1H3
InChIKeyYSTBOJRDYBZYSW-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.93
Rot. Bonds5

About [5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone

[5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42813952) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is [5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID42813952
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name[5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1C1c2cccn2CCN1Cc1ccc(C(=O)N2CCCC2)o1
InChIInChI=1S/C24H27N3O3/c1-29-21-9-3-2-7-19(21)23-20-8-6-14-25(20)15-16-27(23)17-18-10-11-22(30-18)24(28)26-12-4-5-13-26/h2-3,6-11,14,23H,4-5,12-13,15-17H2,1H3
InChIKeyYSTBOJRDYBZYSW-UHFFFAOYSA-N
XLogP3.93
TPSA50.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

N-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
CID 42798215
5-[[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxylic acid
CID 42779321
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 1084341
(2-methoxyphenyl)-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 24859265
5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 42798237
N-cyclohexyl-5-[[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
CID 42798324
N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3425391
[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 71959510
(3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 125415613
[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55762699
N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 4201232
[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 15675405

Frequently Asked Questions

What is the IUPAC name of [5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone (CID 42813952) is [5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone is COc1ccccc1C1c2cccn2CCN1Cc1ccc(C(=O)N2CCCC2)o1.
What is the InChIKey of [5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YSTBOJRDYBZYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-29-21-9-3-2-7-19(21)23-20-8-6-14-25(20)15-16-27(23)17-18-10-11-22(30-18)24(28)26-12-4-5-13-26/h2-3,6-11,14,23H,4-5,12-13,15-17H2,1H3.
What are the key properties of [5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
[5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 405.50 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42813952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).