6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C25H32N8O3 — CID 170775796

About 6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine

6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 170775796) has the molecular formula C25H32N8O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 170775796
• Molecular Formula: C25H32N8O3
• Molecular Weight: 492.58 g/mol
• Exact Mass: 492.26
• IUPAC Name: 6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: COc1cc(-n2cnc(Nc3nc(C4CCN(C)C4)nc4c3cnn4C(C)C)c2)cc(OC)c1OC
• InChI: InChI=1S/C25H32N8O3/c1-15(2)33-25-18(11-27-33)24(29-23(30-25)16-7-8-31(3)12-16)28-21-13-32(14-26-21)17-9-19(34-4)22(36-6)20(10-17)35-5/h9-11,13-16H,7-8,12H2,1-6H3,(H,28,29,30)
• InChIKey: MFVXFVPVVZKREP-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 104.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.58
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 170775796) is 6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is COc1cc(-n2cnc(Nc3nc(C4CCN(C)C4)nc4c3cnn4C(C)C)c2)cc(OC)c1OC.

What is the InChIKey of 6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is MFVXFVPVVZKREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O3/c1-15(2)33-25-18(11-27-33)24(29-23(30-25)16-7-8-31(3)12-16)28-21-13-32(14-26-21)17-9-19(34-4)22(36-6)20(10-17)35-5/h9-11,13-16H,7-8,12H2,1-6H3,(H,28,29,30).

What are the key properties of 6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 492.58 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 170775796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).