5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide

C25H23ClN4O2 — CID 42798237

IUPAC5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(CN2CCn3cccc3C2c2ccccc2Cl)o1
InChIInChI=1S/C25H23ClN4O2/c26-21-8-2-1-7-20(21)24-22-9-5-13-29(22)14-15-30(24)17-19-10-11-23(32-19)25(31)28-16-18-6-3-4-12-27-18/h1-13,24H,14-17H2,(H,28,31)
InChIKeyATYVHDOXUPYTLL-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.66
Rot. Bonds6

About 5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide

5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide (PubChem CID 42798237) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
PubChem CID42798237
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(CN2CCn3cccc3C2c2ccccc2Cl)o1
InChIInChI=1S/C25H23ClN4O2/c26-21-8-2-1-7-20(21)24-22-9-5-13-29(22)14-15-30(24)17-19-10-11-23(32-19)25(31)28-16-18-6-3-4-12-27-18/h1-13,24H,14-17H2,(H,28,31)
InChIKeyATYVHDOXUPYTLL-UHFFFAOYSA-N
XLogP4.66
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide 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-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 42850938
5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide
CID 42812524
N-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
CID 42798273
[5-[[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 42813952
5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 46055568
5-(methoxymethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 78827581
N-[(2-chlorophenyl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 39854547
5-[(4-methylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42850852
5-[[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxylic acid
CID 42779321
5-[[2-[[propanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 7214416
5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 82109061

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 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) is 5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide is O=C(NCc1ccccn1)c1ccc(CN2CCn3cccc3C2c2ccccc2Cl)o1.
What is the InChIKey of 5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The InChIKey is ATYVHDOXUPYTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c26-21-8-2-1-7-20(21)24-22-9-5-13-29(22)14-15-30(24)17-19-10-11-23(32-19)25(31)28-16-18-6-3-4-12-27-18/h1-13,24H,14-17H2,(H,28,31).
What are the key properties of 5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide has a molecular weight of 446.94 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 42798237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).