2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one

C22H21FN8O — CID 135342663

About 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one

2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one (PubChem CID 135342663) has the molecular formula C22H21FN8O and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one.

Molecular Properties

• Compound Name: 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one
• PubChem CID: 135342663
• Molecular Formula: C22H21FN8O
• Molecular Weight: 432.46 g/mol
• Exact Mass: 432.18
• IUPAC Name: 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one
• SMILES: Cc1c(N)cncc1-c1cc2cc(Nc3cc4n(n3)CC(=O)N(C)C4)ncc2c(N)c1F
• InChI: InChI=1S/C22H21FN8O/c1-11-15(6-26-8-17(11)24)14-3-12-4-18(27-7-16(12)22(25)21(14)23)28-19-5-13-9-30(2)20(32)10-31(13)29-19/h3-8H,9-10,24-25H2,1-2H3,(H,27,28,29)
• InChIKey: DBRIDHJJYALMCU-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 127.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.46
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one?

The IUPAC name of 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one (CID 135342663) is 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one.

What is the SMILES notation for 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one?

The canonical SMILES for 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one is Cc1c(N)cncc1-c1cc2cc(Nc3cc4n(n3)CC(=O)N(C)C4)ncc2c(N)c1F.

What is the InChIKey of 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one?

The InChIKey is DBRIDHJJYALMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN8O/c1-11-15(6-26-8-17(11)24)14-3-12-4-18(27-7-16(12)22(25)21(14)23)28-19-5-13-9-30(2)20(32)10-31(13)29-19/h3-8H,9-10,24-25H2,1-2H3,(H,27,28,29).

What are the key properties of 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one?

2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one has a molecular weight of 432.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 135342663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).