(1S)-N-(3-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C23H24ClN3O4 — CID 42546854

About (1S)-N-(3-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(1S)-N-(3-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 42546854) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is (1S)-N-(3-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: (1S)-N-(3-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
• PubChem CID: 42546854
• Molecular Formula: C23H24ClN3O4
• Molecular Weight: 441.92 g/mol
• Exact Mass: 441.15
• IUPAC Name: (1S)-N-(3-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
• SMILES: COc1cc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC
• InChI: InChI=1S/C23H24ClN3O4/c1-29-19-12-15(13-20(30-2)22(19)31-3)21-18-8-5-9-26(18)10-11-27(21)23(28)25-17-7-4-6-16(24)14-17/h4-9,12-14,21H,10-11H2,1-3H3,(H,25,28)/t21-/m0/s1
• InChIKey: LOAAIGOZKRMIOQ-NRFANRHFSA-N
• XLogP: 4.80
• TPSA: 64.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.92
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(3-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?

The IUPAC name of (1S)-N-(3-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 42546854) is (1S)-N-(3-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

What is the SMILES notation for (1S)-N-(3-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?

The canonical SMILES for (1S)-N-(3-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is COc1cc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC.

What is the InChIKey of (1S)-N-(3-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?

The InChIKey is LOAAIGOZKRMIOQ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-29-19-12-15(13-20(30-2)22(19)31-3)21-18-8-5-9-26(18)10-11-27(21)23(28)25-17-7-4-6-16(24)14-17/h4-9,12-14,21H,10-11H2,1-3H3,(H,25,28)/t21-/m0/s1.

What are the key properties of (1S)-N-(3-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?

(1S)-N-(3-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-N-(3-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 42546854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).