4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C21H19ClFN3O2 — CID 172673520

About 4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 172673520) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is 4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: 4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 172673520
• Molecular Formula: C21H19ClFN3O2
• Molecular Weight: 399.85 g/mol
• Exact Mass: 399.11
• IUPAC Name: 4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: COc1ccccc1Cn1ncc2c1NC(=O)CC2c1c(Cl)ccc(C)c1F
• InChI: InChI=1S/C21H19ClFN3O2/c1-12-7-8-16(22)19(20(12)23)14-9-18(27)25-21-15(14)10-24-26(21)11-13-5-3-4-6-17(13)28-2/h3-8,10,14H,9,11H2,1-2H3,(H,25,27)
• InChIKey: AWHVATDFFVVNJH-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.85
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The IUPAC name of 4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 172673520) is 4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

What is the SMILES notation for 4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The canonical SMILES for 4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccccc1Cn1ncc2c1NC(=O)CC2c1c(Cl)ccc(C)c1F.

What is the InChIKey of 4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The InChIKey is AWHVATDFFVVNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c1-12-7-8-16(22)19(20(12)23)14-9-18(27)25-21-15(14)10-24-26(21)11-13-5-3-4-6-17(13)28-2/h3-8,10,14H,9,11H2,1-2H3,(H,25,27).

What are the key properties of 4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 399.85 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 172673520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).