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

C30H34N10O — CID 71664427

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

8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 71664427) has the molecular formula C30H34N10O and a molecular weight of 550.67 g/mol. Its IUPAC name is 8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

• Compound Name: 8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
• PubChem CID: 71664427
• Molecular Formula: C30H34N10O
• Molecular Weight: 550.67 g/mol
• Exact Mass: 550.29
• IUPAC Name: 8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
• SMILES: Cn1cc(-c2cccc(Cc3c4c(nn3C)CCc3cnc(Nc5ccn(CCN6CCOCC6)n5)nc3-4)c2)cn1
• InChI: InChI=1S/C30H34N10O/c1-37-20-24(19-32-37)22-5-3-4-21(16-22)17-26-28-25(35-38(26)2)7-6-23-18-31-30(34-29(23)28)33-27-8-9-40(36-27)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: VHIBZYACLHIGAD-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-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?

The IUPAC name of 8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 71664427) is 8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

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

The canonical SMILES for 8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is Cn1cc(-c2cccc(Cc3c4c(nn3C)CCc3cnc(Nc5ccn(CCN6CCOCC6)n5)nc3-4)c2)cn1.

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

The InChIKey is VHIBZYACLHIGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N10O/c1-37-20-24(19-32-37)22-5-3-4-21(16-22)17-26-28-25(35-38(26)2)7-6-23-18-31-30(34-29(23)28)33-27-8-9-40(36-27)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-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?

8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-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-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 71664427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).