N-[(4-chlorophenyl)methyl]-8-fluoro-2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide

C23H27ClFN3O4S — CID 170975187

About N-[(4-chlorophenyl)methyl]-8-fluoro-2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide

N-[(4-chlorophenyl)methyl]-8-fluoro-2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 170975187) has the molecular formula C23H27ClFN3O4S and a molecular weight of 496.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-8-fluoro-2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-8-fluoro-2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide
• PubChem CID: 170975187
• Molecular Formula: C23H27ClFN3O4S
• Molecular Weight: 496.00 g/mol
• Exact Mass: 495.14
• IUPAC Name: N-[(4-chlorophenyl)methyl]-8-fluoro-2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide
• SMILES: CC(C)(CO)S(=O)C1(CN2CCn3c(C(=O)NCc4ccc(Cl)cc4)cc(F)c3C2=O)CC1
• InChI: InChI=1S/C23H27ClFN3O4S/c1-22(2,14-29)33(32)23(7-8-23)13-27-9-10-28-18(11-17(25)19(28)21(27)31)20(30)26-12-15-3-5-16(24)6-4-15/h3-6,11,29H,7-10,12-14H2,1-2H3,(H,26,30)
• InChIKey: WSDSCWPCGRINIL-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 91.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.00
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-8-fluoro-2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-8-fluoro-2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide (CID 170975187) is N-[(4-chlorophenyl)methyl]-8-fluoro-2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-8-fluoro-2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-8-fluoro-2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide is CC(C)(CO)S(=O)C1(CN2CCn3c(C(=O)NCc4ccc(Cl)cc4)cc(F)c3C2=O)CC1.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-8-fluoro-2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide?

The InChIKey is WSDSCWPCGRINIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O4S/c1-22(2,14-29)33(32)23(7-8-23)13-27-9-10-28-18(11-17(25)19(28)21(27)31)20(30)26-12-15-3-5-16(24)6-4-15/h3-6,11,29H,7-10,12-14H2,1-2H3,(H,26,30).

What are the key properties of N-[(4-chlorophenyl)methyl]-8-fluoro-2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide?

N-[(4-chlorophenyl)methyl]-8-fluoro-2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 496.00 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-8-fluoro-2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 170975187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).