(2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one

C27H32Cl2N6O2 — CID 159050555

About (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one

(2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one (PubChem CID 159050555) has the molecular formula C27H32Cl2N6O2 and a molecular weight of 543.50 g/mol. Its IUPAC name is (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one.

Molecular Properties

• Compound Name: (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
• PubChem CID: 159050555
• Molecular Formula: C27H32Cl2N6O2
• Molecular Weight: 543.50 g/mol
• Exact Mass: 542.20
• IUPAC Name: (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
• SMILES: CC(C)[C@@H](N)C(=O)N1Cc2ccccc2C1.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1Cc2cn[nH]c2C1
• InChI: InChI=1S/C14H14Cl2N4O.C13H18N2O/c15-10-2-1-8(11(16)4-10)3-12(17)14(21)20-6-9-5-18-19-13(9)7-20;1-9(2)12(14)13(16)15-7-10-5-3-4-6-11(10)8-15/h1-2,4-5,12H,3,6-7,17H2,(H,18,19);3-6,9,12H,7-8,14H2,1-2H3/t2*12-/m11/s1
• InChIKey: JXFDPCNTDHWVHD-FUKRVRFJSA-N
• XLogP: 3.64
• TPSA: 121.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.50
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one?

The IUPAC name of (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one (CID 159050555) is (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one.

What is the SMILES notation for (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one?

The canonical SMILES for (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one is CC(C)[C@@H](N)C(=O)N1Cc2ccccc2C1.N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1Cc2cn[nH]c2C1.

What is the InChIKey of (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one?

The InChIKey is JXFDPCNTDHWVHD-FUKRVRFJSA-N. The full InChI is InChI=1S/C14H14Cl2N4O.C13H18N2O/c15-10-2-1-8(11(16)4-10)3-12(17)14(21)20-6-9-5-18-19-13(9)7-20;1-9(2)12(14)13(16)15-7-10-5-3-4-6-11(10)8-15/h1-2,4-5,12H,3,6-7,17H2,(H,18,19);3-6,9,12H,7-8,14H2,1-2H3/t2*12-/m11/s1.

What are the key properties of (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one?

(2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one has a molecular weight of 543.50 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one is sourced from PubChem (CID 159050555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).