N-cyclopropyl-4-fluoro-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide

C25H26FN3O4S — CID 42798041

IUPACN-cyclopropyl-4-fluoro-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide
SMILESCOc1cccc(C2c3cccn3CCN2C(=O)CN(C2CC2)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C25H26FN3O4S/c1-33-21-5-2-4-18(16-21)25-23-6-3-13-27(23)14-15-28(25)24(30)17-29(20-9-10-20)34(31,32)22-11-7-19(26)8-12-22/h2-8,11-13,16,20,25H,9-10,14-15,17H2,1H3
InChIKeyAYUKDGYDADLQOY-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.42
Rot. Bonds7

About N-cyclopropyl-4-fluoro-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide

N-cyclopropyl-4-fluoro-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 42798041) has the molecular formula C25H26FN3O4S and a molecular weight of 483.57 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID42798041
Molecular FormulaC25H26FN3O4S
Molecular Weight483.57 g/mol
Exact Mass483.16
IUPAC NameN-cyclopropyl-4-fluoro-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide
SMILESCOc1cccc(C2c3cccn3CCN2C(=O)CN(C2CC2)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C25H26FN3O4S/c1-33-21-5-2-4-18(16-21)25-23-6-3-13-27(23)14-15-28(25)24(30)17-29(20-9-10-20)34(31,32)22-11-7-19(26)8-12-22/h2-8,11-13,16,20,25H,9-10,14-15,17H2,1H3
InChIKeyAYUKDGYDADLQOY-UHFFFAOYSA-N
XLogP3.42
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-methoxy-N-propan-2-ylbenzamide
CID 4637987
N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-methoxy-N-propylbenzamide
CID 5099515
1-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]nonan-1-one
CID 4057626
N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide
CID 5156161
4-bromo-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3505089
3-fluoro-N-[2-oxo-2-[1-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylbenzamide
CID 3659813
1-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-(4-propan-2-ylphenyl)-1-propylurea
CID 4126766
N-[2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methylpropyl)ethanesulfonamide
CID 42813046
3-methoxy-N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylbenzamide
CID 42788181
1-[2-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-cyclopropyl-3,3-dimethylurea
CID 42812982
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100791045
N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylbutanamide
CID 3957602

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-fluoro-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide (CID 42798041) is N-cyclopropyl-4-fluoro-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide is COc1cccc(C2c3cccn3CCN2C(=O)CN(C2CC2)S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-cyclopropyl-4-fluoro-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is AYUKDGYDADLQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4S/c1-33-21-5-2-4-18(16-21)25-23-6-3-13-27(23)14-15-28(25)24(30)17-29(20-9-10-20)34(31,32)22-11-7-19(26)8-12-22/h2-8,11-13,16,20,25H,9-10,14-15,17H2,1H3.
What are the key properties of N-cyclopropyl-4-fluoro-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide?
N-cyclopropyl-4-fluoro-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 483.57 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 42798041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).