(6R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-methoxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride

C31H36Cl2N6O4 — CID 20678713

About (6R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-methoxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride

(6R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-methoxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride (PubChem CID 20678713) has the molecular formula C31H36Cl2N6O4 and a molecular weight of 627.57 g/mol. Its IUPAC name is (6R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-methoxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: (6R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-methoxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride
• PubChem CID: 20678713
• Molecular Formula: C31H36Cl2N6O4
• Molecular Weight: 627.57 g/mol
• Exact Mass: 626.22
• IUPAC Name: (6R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-methoxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride
• SMILES: COc1ccc(C(CNc2ncc3n(c2=O)[C@@H](C(=O)NCc2ccc(N)nc2C)CC3)c2ccc(OC)cc2)cc1.Cl.Cl
• InChI: InChI=1S/C31H34N6O4.2ClH/c1-19-22(8-15-28(32)36-19)16-35-30(38)27-14-9-23-17-33-29(31(39)37(23)27)34-18-26(20-4-10-24(40-2)11-5-20)21-6-12-25(41-3)13-7-21;;/h4-8,10-13,15,17,26-27H,9,14,16,18H2,1-3H3,(H2,32,36)(H,33,34)(H,35,38);2*1H/t27-;;/m1../s1
• InChIKey: QIBQNTLJATYDFE-KFSCGDPASA-N
• XLogP: 4.44
• TPSA: 133.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	627.57
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-methoxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride?

The IUPAC name of (6R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-methoxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride (CID 20678713) is (6R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-methoxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride.

What is the SMILES notation for (6R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-methoxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride?

The canonical SMILES for (6R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-methoxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride is COc1ccc(C(CNc2ncc3n(c2=O)[C@@H](C(=O)NCc2ccc(N)nc2C)CC3)c2ccc(OC)cc2)cc1.Cl.Cl.

What is the InChIKey of (6R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-methoxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride?

The InChIKey is QIBQNTLJATYDFE-KFSCGDPASA-N. The full InChI is InChI=1S/C31H34N6O4.2ClH/c1-19-22(8-15-28(32)36-19)16-35-30(38)27-14-9-23-17-33-29(31(39)37(23)27)34-18-26(20-4-10-24(40-2)11-5-20)21-6-12-25(41-3)13-7-21;;/h4-8,10-13,15,17,26-27H,9,14,16,18H2,1-3H3,(H2,32,36)(H,33,34)(H,35,38);2*1H/t27-;;/m1../s1.

What are the key properties of (6R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-methoxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride?

(6R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-methoxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride has a molecular weight of 627.57 g/mol, XLogP of 4.44, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-methoxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride is sourced from PubChem (CID 20678713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).