8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

C30H34N10O — CID 71664151

About 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 71664151) has the molecular formula C30H34N10O and a molecular weight of 550.67 g/mol. Its IUPAC name is 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

• Compound Name: 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
• PubChem CID: 71664151
• Molecular Formula: C30H34N10O
• Molecular Weight: 550.67 g/mol
• Exact Mass: 550.29
• IUPAC Name: 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
• SMILES: Cn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(-c4cnn(CCN5CCOCC5)c4)c2)CC3)n1
• InChI: InChI=1S/C30H34N10O/c1-37-9-8-27(36-37)33-30-31-18-23-6-7-25-28(29(23)34-30)26(38(2)35-25)17-21-4-3-5-22(16-21)24-19-32-40(20-24)11-10-39-12-14-41-15-13-39/h3-5,8-9,16,18-20H,6-7,10-15,17H2,1-2H3,(H,31,33,34,36)
• InChIKey: PTPQXKBVULYOLN-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 103.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.67
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?

The IUPAC name of 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 71664151) is 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

What is the SMILES notation for 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?

The canonical SMILES for 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is Cn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(-c4cnn(CCN5CCOCC5)c4)c2)CC3)n1.

What is the InChIKey of 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?

The InChIKey is PTPQXKBVULYOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N10O/c1-37-9-8-27(36-37)33-30-31-18-23-6-7-25-28(29(23)34-30)26(38(2)35-25)17-21-4-3-5-22(16-21)24-19-32-40(20-24)11-10-39-12-14-41-15-13-39/h3-5,8-9,16,18-20H,6-7,10-15,17H2,1-2H3,(H,31,33,34,36).

What are the key properties of 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?

8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 550.67 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 71664151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).