6-(1-ethyl-4-methylpyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one

C22H26N6O — CID 137155380

About 6-(1-ethyl-4-methylpyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one

6-(1-ethyl-4-methylpyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one (PubChem CID 137155380) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-(1-ethyl-4-methylpyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one.

Molecular Properties

• Compound Name: 6-(1-ethyl-4-methylpyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
• PubChem CID: 137155380
• Molecular Formula: C22H26N6O
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.22
• IUPAC Name: 6-(1-ethyl-4-methylpyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
• SMILES: CCN1CC(C)C(N2Cc3cc4c(-c5ccnc(C)c5)n[nH]c4cc3NC2=O)C1
• InChI: InChI=1S/C22H26N6O/c1-4-27-10-13(2)20(12-27)28-11-16-8-17-19(9-18(16)24-22(28)29)25-26-21(17)15-5-6-23-14(3)7-15/h5-9,13,20H,4,10-12H2,1-3H3,(H,24,29)(H,25,26)
• InChIKey: FZMACIAUOYMGRJ-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 77.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyl-4-methylpyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?

The IUPAC name of 6-(1-ethyl-4-methylpyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one (CID 137155380) is 6-(1-ethyl-4-methylpyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one.

What is the SMILES notation for 6-(1-ethyl-4-methylpyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?

The canonical SMILES for 6-(1-ethyl-4-methylpyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one is CCN1CC(C)C(N2Cc3cc4c(-c5ccnc(C)c5)n[nH]c4cc3NC2=O)C1.

What is the InChIKey of 6-(1-ethyl-4-methylpyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?

The InChIKey is FZMACIAUOYMGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-4-27-10-13(2)20(12-27)28-11-16-8-17-19(9-18(16)24-22(28)29)25-26-21(17)15-5-6-23-14(3)7-15/h5-9,13,20H,4,10-12H2,1-3H3,(H,24,29)(H,25,26).

What are the key properties of 6-(1-ethyl-4-methylpyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?

6-(1-ethyl-4-methylpyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one has a molecular weight of 390.49 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-ethyl-4-methylpyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one is sourced from PubChem (CID 137155380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).