N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide

C23H24FN3O2S — CID 3465699

IUPACN-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide
SMILESCCCN(CC(=O)N1CCn2cccc2C1c1cccc(F)c1)C(=O)c1cccs1
InChIInChI=1S/C23H24FN3O2S/c1-2-10-26(23(29)20-9-5-14-30-20)16-21(28)27-13-12-25-11-4-8-19(25)22(27)17-6-3-7-18(24)15-17/h3-9,11,14-15,22H,2,10,12-13,16H2,1H3
InChIKeyRKXUMWDVKOAKNP-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.17
Rot. Bonds6

About N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide

N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide (PubChem CID 3465699) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide
PubChem CID3465699
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC NameN-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide
SMILESCCCN(CC(=O)N1CCn2cccc2C1c1cccc(F)c1)C(=O)c1cccs1
InChIInChI=1S/C23H24FN3O2S/c1-2-10-26(23(29)20-9-5-14-30-20)16-21(28)27-13-12-25-11-4-8-19(25)22(27)17-6-3-7-18(24)15-17/h3-9,11,14-15,22H,2,10,12-13,16H2,1H3
InChIKeyRKXUMWDVKOAKNP-UHFFFAOYSA-N
XLogP4.17
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 3343131
N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-methoxy-N-propylbenzamide
CID 5099515
4-butoxy-N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylbenzamide
CID 3921934
N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylbutanamide
CID 3957602
N-tert-butyl-N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]hexanamide
CID 42798001
3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide
CID 42788172
N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylnonanamide
CID 4011132
1-[2-[(1R)-1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-propan-2-yl-3-[2-(trifluoromethyl)phenyl]urea
CID 93115490
1-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(propan-2-ylamino)ethanone
CID 42779338
3-chloro-N-[2-[(1S)-1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 92946730
1-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylpropan-1-one
CID 4104891
N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide
CID 42814029

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide?
The IUPAC name of N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide (CID 3465699) is N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide is CCCN(CC(=O)N1CCn2cccc2C1c1cccc(F)c1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide?
The InChIKey is RKXUMWDVKOAKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-2-10-26(23(29)20-9-5-14-30-20)16-21(28)27-13-12-25-11-4-8-19(25)22(27)17-6-3-7-18(24)15-17/h3-9,11,14-15,22H,2,10,12-13,16H2,1H3.
What are the key properties of N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide?
N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 3465699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).