(1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C22H21Cl2N3O3 — CID 42546563

About (1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 42546563) has the molecular formula C22H21Cl2N3O3 and a molecular weight of 446.33 g/mol. Its IUPAC name is (1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: (1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
• PubChem CID: 42546563
• Molecular Formula: C22H21Cl2N3O3
• Molecular Weight: 446.33 g/mol
• Exact Mass: 445.10
• IUPAC Name: (1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
• SMILES: COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC
• InChI: InChI=1S/C22H21Cl2N3O3/c1-29-19-8-5-14(12-20(19)30-2)21-18-4-3-9-26(18)10-11-27(21)22(28)25-15-6-7-16(23)17(24)13-15/h3-9,12-13,21H,10-11H2,1-2H3,(H,25,28)/t21-/m1/s1
• InChIKey: ZNOWYEAAYHOXKD-OAQYLSRUSA-N
• XLogP: 5.45
• TPSA: 55.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.33
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?

The IUPAC name of (1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 42546563) is (1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

What is the SMILES notation for (1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?

The canonical SMILES for (1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC.

What is the InChIKey of (1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?

The InChIKey is ZNOWYEAAYHOXKD-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21Cl2N3O3/c1-29-19-8-5-14(12-20(19)30-2)21-18-4-3-9-26(18)10-11-27(21)22(28)25-15-6-7-16(23)17(24)13-15/h3-9,12-13,21H,10-11H2,1-2H3,(H,25,28)/t21-/m1/s1.

What are the key properties of (1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?

(1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 446.33 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 42546563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).