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

C31H36N10O — CID 71664406

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

8-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 71664406) has the molecular formula C31H36N10O and a molecular weight of 564.70 g/mol. Its IUPAC name is 8-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

• Compound Name: 8-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
• PubChem CID: 71664406
• Molecular Formula: C31H36N10O
• Molecular Weight: 564.70 g/mol
• Exact Mass: 564.31
• IUPAC Name: 8-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
• SMILES: CC(C)n1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5cnn(CCN6CCOCC6)c5)nc3-4)cc2)cn1
• InChI: InChI=1S/C31H36N10O/c1-21(2)41-19-25(17-34-41)22-4-6-23(7-5-22)30-28-27(37-38(30)3)9-8-24-16-32-31(36-29(24)28)35-26-18-33-40(20-26)11-10-39-12-14-42-15-13-39/h4-7,16-21H,8-15H2,1-3H3,(H,32,35,36)
• InChIKey: KVFQSNCDMQJZPD-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 103.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.70
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 8-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 71664406) is 8-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

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

The canonical SMILES for 8-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is CC(C)n1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5cnn(CCN6CCOCC6)c5)nc3-4)cc2)cn1.

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

The InChIKey is KVFQSNCDMQJZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N10O/c1-21(2)41-19-25(17-34-41)22-4-6-23(7-5-22)30-28-27(37-38(30)3)9-8-24-16-32-31(36-29(24)28)35-26-18-33-40(20-26)11-10-39-12-14-42-15-13-39/h4-7,16-21H,8-15H2,1-3H3,(H,32,35,36).

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

8-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 564.70 g/mol, XLogP of 4.36, 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-(2-morpholin-4-ylethyl)pyrazol-4-yl]-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 71664406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).