1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one

C27H31N3O3S — CID 55558055

IUPAC1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCn2cccc2C1c1ccccc1
InChIInChI=1S/C27H31N3O3S/c31-26(30-21-20-28-17-7-10-25(28)27(30)23-8-3-1-4-9-23)16-13-22-11-14-24(15-12-22)34(32,33)29-18-5-2-6-19-29/h1,3-4,7-12,14-15,17,27H,2,5-6,13,16,18-21H2
InChIKeyURNUVQLZDFWBPX-UHFFFAOYSA-N
MW477.63 g/mol
LogP4.23
Rot. Bonds6

About 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one

1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one (PubChem CID 55558055) has the molecular formula C27H31N3O3S and a molecular weight of 477.63 g/mol. Its IUPAC name is 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
PubChem CID55558055
Molecular FormulaC27H31N3O3S
Molecular Weight477.63 g/mol
Exact Mass477.21
IUPAC Name1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCn2cccc2C1c1ccccc1
InChIInChI=1S/C27H31N3O3S/c31-26(30-21-20-28-17-7-10-25(28)27(30)23-8-3-1-4-9-23)16-13-22-11-14-24(15-12-22)34(32,33)29-18-5-2-6-19-29/h1,3-4,7-12,14-15,17,27H,2,5-6,13,16,18-21H2
InChIKeyURNUVQLZDFWBPX-UHFFFAOYSA-N
XLogP4.23
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one 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

1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one
CID 25493290
1-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylpropan-1-one
CID 4104891
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone
CID 134054456
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(5-phenylfuran-2-yl)propan-1-one
CID 42947726
3-(4-piperidin-1-ylsulfonylphenyl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one
CID 39689571
1-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119355369
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;hydrochloride
CID 119631998
(3S)-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 119173608
sodium 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 23692705
1-[3-(methylamino)piperidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 119489331
1-(4-aminopiperidin-1-yl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propan-1-one
CID 119373424

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one?
The IUPAC name of 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one (CID 55558055) is 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one.
What is the SMILES notation for 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one?
The canonical SMILES for 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one is O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCn2cccc2C1c1ccccc1.
What is the InChIKey of 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one?
The InChIKey is URNUVQLZDFWBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3S/c31-26(30-21-20-28-17-7-10-25(28)27(30)23-8-3-1-4-9-23)16-13-22-11-14-24(15-12-22)34(32,33)29-18-5-2-6-19-29/h1,3-4,7-12,14-15,17,27H,2,5-6,13,16,18-21H2.
What are the key properties of 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one?
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one has a molecular weight of 477.63 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one is sourced from PubChem (CID 55558055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).