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

C23H26ClN3O2 — CID 42798215

IUPACN-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(CN2CCn3cccc3C2c2ccccc2Cl)o1
InChIInChI=1S/C23H26ClN3O2/c1-3-16(2)25-23(28)21-11-10-17(29-21)15-27-14-13-26-12-6-9-20(26)22(27)18-7-4-5-8-19(18)24/h4-12,16,22H,3,13-15H2,1-2H3,(H,25,28)
InChIKeyNMXJPPHKERPWAG-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.87
Rot. Bonds6

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

N-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide (PubChem CID 42798215) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is N-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
PubChem CID42798215
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC NameN-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(CN2CCn3cccc3C2c2ccccc2Cl)o1
InChIInChI=1S/C23H26ClN3O2/c1-3-16(2)25-23(28)21-11-10-17(29-21)15-27-14-13-26-12-6-9-20(26)22(27)18-7-4-5-8-19(18)24/h4-12,16,22H,3,13-15H2,1-2H3,(H,25,28)
InChIKeyNMXJPPHKERPWAG-UHFFFAOYSA-N
XLogP4.87
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

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
[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-[[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
N-cyclohexyl-5-[[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
CID 42798324
benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium
CID 6945953
5-[[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxylic acid
CID 42779321
1-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propylurea
CID 42813891
2-[[(1R)-1-(2-chlorophenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]phenol
CID 93231503
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215
N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylpropanamide
CID 42814082
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31518398

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of 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) is N-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide is CCC(C)NC(=O)c1ccc(CN2CCn3cccc3C2c2ccccc2Cl)o1.
What is the InChIKey of N-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide?
The InChIKey is NMXJPPHKERPWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-3-16(2)25-23(28)21-11-10-17(29-21)15-27-14-13-26-12-6-9-20(26)22(27)18-7-4-5-8-19(18)24/h4-12,16,22H,3,13-15H2,1-2H3,(H,25,28).
What are the key properties of N-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide?
N-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide has a molecular weight of 411.93 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 42798215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).