6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[4-methyl-6-[(2-morpholin-4-yl-4-pyridinyl)amino]-5-oxopyrazin-2-yl]phenyl]-3,4-dihydroisoquinolin-1-one

C32H35N7O4 — CID 59138909

About 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[4-methyl-6-[(2-morpholin-4-yl-4-pyridinyl)amino]-5-oxopyrazin-2-yl]phenyl]-3,4-dihydroisoquinolin-1-one

6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[4-methyl-6-[(2-morpholin-4-yl-4-pyridinyl)amino]-5-oxopyrazin-2-yl]phenyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 59138909) has the molecular formula C32H35N7O4 and a molecular weight of 581.68 g/mol. Its IUPAC name is 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[4-methyl-6-[(2-morpholin-4-yl-4-pyridinyl)amino]-5-oxopyrazin-2-yl]phenyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

• Compound Name: 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[4-methyl-6-[(2-morpholin-4-yl-4-pyridinyl)amino]-5-oxopyrazin-2-yl]phenyl]-3,4-dihydroisoquinolin-1-one
• PubChem CID: 59138909
• Molecular Formula: C32H35N7O4
• Molecular Weight: 581.68 g/mol
• Exact Mass: 581.28
• IUPAC Name: 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[4-methyl-6-[(2-morpholin-4-yl-4-pyridinyl)amino]-5-oxopyrazin-2-yl]phenyl]-3,4-dihydroisoquinolin-1-one
• SMILES: CN(C)c1ccc2c(c1)CCN(c1cccc(-c3cn(C)c(=O)c(Nc4ccnc(N5CCOCC5)c4)n3)c1CO)C2=O
• InChI: InChI=1S/C32H35N7O4/c1-36(2)23-7-8-24-21(17-23)10-12-39(31(24)41)28-6-4-5-25(26(28)20-40)27-19-37(3)32(42)30(35-27)34-22-9-11-33-29(18-22)38-13-15-43-16-14-38/h4-9,11,17-19,40H,10,12-16,20H2,1-3H3,(H,33,34,35)
• InChIKey: JGAAFSQPGSKUAZ-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 116.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.68
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[4-methyl-6-[(2-morpholin-4-yl-4-pyridinyl)amino]-5-oxopyrazin-2-yl]phenyl]-3,4-dihydroisoquinolin-1-one?

The IUPAC name of 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[4-methyl-6-[(2-morpholin-4-yl-4-pyridinyl)amino]-5-oxopyrazin-2-yl]phenyl]-3,4-dihydroisoquinolin-1-one (CID 59138909) is 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[4-methyl-6-[(2-morpholin-4-yl-4-pyridinyl)amino]-5-oxopyrazin-2-yl]phenyl]-3,4-dihydroisoquinolin-1-one.

What is the SMILES notation for 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[4-methyl-6-[(2-morpholin-4-yl-4-pyridinyl)amino]-5-oxopyrazin-2-yl]phenyl]-3,4-dihydroisoquinolin-1-one?

The canonical SMILES for 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[4-methyl-6-[(2-morpholin-4-yl-4-pyridinyl)amino]-5-oxopyrazin-2-yl]phenyl]-3,4-dihydroisoquinolin-1-one is CN(C)c1ccc2c(c1)CCN(c1cccc(-c3cn(C)c(=O)c(Nc4ccnc(N5CCOCC5)c4)n3)c1CO)C2=O.

What is the InChIKey of 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[4-methyl-6-[(2-morpholin-4-yl-4-pyridinyl)amino]-5-oxopyrazin-2-yl]phenyl]-3,4-dihydroisoquinolin-1-one?

The InChIKey is JGAAFSQPGSKUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N7O4/c1-36(2)23-7-8-24-21(17-23)10-12-39(31(24)41)28-6-4-5-25(26(28)20-40)27-19-37(3)32(42)30(35-27)34-22-9-11-33-29(18-22)38-13-15-43-16-14-38/h4-9,11,17-19,40H,10,12-16,20H2,1-3H3,(H,33,34,35).

What are the key properties of 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[4-methyl-6-[(2-morpholin-4-yl-4-pyridinyl)amino]-5-oxopyrazin-2-yl]phenyl]-3,4-dihydroisoquinolin-1-one?

6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[4-methyl-6-[(2-morpholin-4-yl-4-pyridinyl)amino]-5-oxopyrazin-2-yl]phenyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 581.68 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[4-methyl-6-[(2-morpholin-4-yl-4-pyridinyl)amino]-5-oxopyrazin-2-yl]phenyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 59138909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).