4-(5-methoxy-2-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C22H20N6O2 — CID 170511511

About 4-(5-methoxy-2-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(5-methoxy-2-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 170511511) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-(5-methoxy-2-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: 4-(5-methoxy-2-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 170511511
• Molecular Formula: C22H20N6O2
• Molecular Weight: 400.44 g/mol
• Exact Mass: 400.16
• IUPAC Name: 4-(5-methoxy-2-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: COc1ccc(-n2cccn2)c(C2CC(=O)Nc3c2cnn3Cc2cccnc2)c1
• InChI: InChI=1S/C22H20N6O2/c1-30-16-5-6-20(27-9-3-8-24-27)18(10-16)17-11-21(29)26-22-19(17)13-25-28(22)14-15-4-2-7-23-12-15/h2-10,12-13,17H,11,14H2,1H3,(H,26,29)
• InChIKey: FTMXYFGELZGMAV-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.44
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The IUPAC name of 4-(5-methoxy-2-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 170511511) is 4-(5-methoxy-2-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

What is the SMILES notation for 4-(5-methoxy-2-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The canonical SMILES for 4-(5-methoxy-2-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc(-n2cccn2)c(C2CC(=O)Nc3c2cnn3Cc2cccnc2)c1.

What is the InChIKey of 4-(5-methoxy-2-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The InChIKey is FTMXYFGELZGMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-30-16-5-6-20(27-9-3-8-24-27)18(10-16)17-11-21(29)26-22-19(17)13-25-28(22)14-15-4-2-7-23-12-15/h2-10,12-13,17H,11,14H2,1H3,(H,26,29).

What are the key properties of 4-(5-methoxy-2-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

4-(5-methoxy-2-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 400.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-methoxy-2-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 170511511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).