N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide

C18H18FN3O3 — CID 3011072

IUPACN-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NC1CC1)c1cn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C18H18FN3O3/c19-12-3-1-11(2-4-12)9-22-8-7-21-10-14(16(23)15(21)18(22)25)17(24)20-13-5-6-13/h1-4,10,13,23H,5-9H2,(H,20,24)
InChIKeyCHGSIURIFLFXAG-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.88
Rot. Bonds4

About N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide

N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 3011072) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID3011072
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NC1CC1)c1cn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C18H18FN3O3/c19-12-3-1-11(2-4-12)9-22-8-7-21-10-14(16(23)15(21)18(22)25)17(24)20-13-5-6-13/h1-4,10,13,23H,5-9H2,(H,20,24)
InChIKeyCHGSIURIFLFXAG-UHFFFAOYSA-N
XLogP1.88
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide 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

2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 3011082
2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 69171460
7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane
CID 90901471
N-[1-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]ethyl]-N-methylacetamide
CID 54706839
(E)-N-cyclopropyl-3-[(2E)-4-[(4-fluorophenyl)methyl]-2-(hydroxymethylidene)-3-oxopiperazin-1-yl]prop-2-enamide
CID 142901511
N-[1-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]ethyl]-N-methylmethanesulfonamide
CID 54718510
5,11-bis[(4-fluorophenyl)methyl]-8-hydroxy-1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene-6,10-dione
CID 54692338
(2S)-N-cyclooctyl-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]butanamide
CID 95067134
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1R,2S)-2-hydroxycyclohexyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54685065
7-(azepan-1-yl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54692293
7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 143248052
3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
CID 70368524

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide (CID 3011072) is N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide is O=C(NC1CC1)c1cn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2.
What is the InChIKey of N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is CHGSIURIFLFXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c19-12-3-1-11(2-4-12)9-22-8-7-21-10-14(16(23)15(21)18(22)25)17(24)20-13-5-6-13/h1-4,10,13,23H,5-9H2,(H,20,24).
What are the key properties of N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 3011072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).