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

C31H36N10O2 — CID 71664503

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

N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 71664503) has the molecular formula C31H36N10O2 and a molecular weight of 580.70 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

• Compound Name: N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
• PubChem CID: 71664503
• Molecular Formula: C31H36N10O2
• Molecular Weight: 580.70 g/mol
• Exact Mass: 580.30
• IUPAC Name: N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
• SMILES: COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCN5CCOCC5)c4)cc2)CC3)n1
• InChI: InChI=1S/C31H36N10O2/c1-38-30(23-5-3-22(4-6-23)25-20-33-41(21-25)12-11-39-13-17-43-18-14-39)28-26(36-38)8-7-24-19-32-31(35-29(24)28)34-27-9-10-40(37-27)15-16-42-2/h3-6,9-10,19-21H,7-8,11-18H2,1-2H3,(H,32,34,35,37)
• InChIKey: FHMWNSNIIZHZPJ-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 112.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.70
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 71664503) is N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

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

The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCN5CCOCC5)c4)cc2)CC3)n1.

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

The InChIKey is FHMWNSNIIZHZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N10O2/c1-38-30(23-5-3-22(4-6-23)25-20-33-41(21-25)12-11-39-13-17-43-18-14-39)28-26(36-38)8-7-24-19-32-31(35-29(24)28)34-27-9-10-40(37-27)15-16-42-2/h3-6,9-10,19-21H,7-8,11-18H2,1-2H3,(H,32,34,35,37).

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

N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 580.70 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 71664503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).