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

C22H24ClN3O2 — CID 18087539

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
SMILESCC1c2cccn2CCN1CC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C22H24ClN3O2/c1-16-20-4-3-11-25(20)12-13-26(16)15-22(27)24(2)14-19-9-10-21(28-19)17-5-7-18(23)8-6-17/h3-11,16H,12-15H2,1-2H3
InChIKeyLRQBKRVRLJUQQD-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.44
Rot. Bonds5

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

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide (PubChem CID 18087539) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
PubChem CID18087539
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
SMILESCC1c2cccn2CCN1CC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C22H24ClN3O2/c1-16-20-4-3-11-25(20)12-13-26(16)15-22(27)24(2)14-19-9-10-21(28-19)17-5-7-18(23)8-6-17/h3-11,16H,12-15H2,1-2H3
InChIKeyLRQBKRVRLJUQQD-UHFFFAOYSA-N
XLogP4.44
TPSA41.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 39719183
1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 24561283
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680241
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772515
2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 94180479
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
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CID 31286269
1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 51887082
1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride
CID 131862742
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8550305
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide (CID 18087539) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide is CC1c2cccn2CCN1CC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The InChIKey is LRQBKRVRLJUQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-16-20-4-3-11-25(20)12-13-26(16)15-22(27)24(2)14-19-9-10-21(28-19)17-5-7-18(23)8-6-17/h3-11,16H,12-15H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide has a molecular weight of 397.91 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide is sourced from PubChem (CID 18087539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).