4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one

C20H16F3N5O — CID 137082204

About 4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one

4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one (PubChem CID 137082204) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one
• PubChem CID: 137082204
• Molecular Formula: C20H16F3N5O
• Molecular Weight: 399.38 g/mol
• Exact Mass: 399.13
• IUPAC Name: 4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one
• SMILES: CCc1c(C(F)F)nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c1=O
• InChI: InChI=1S/C20H16F3N5O/c1-2-12-15(17(22)23)25-18(26-20(12)29)16-13-7-5-9-24-19(13)28(27-16)10-11-6-3-4-8-14(11)21/h3-9,17H,2,10H2,1H3,(H,25,26,29)
• InChIKey: SBOOQHJSQDIKOX-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.38
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one?

The IUPAC name of 4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one (CID 137082204) is 4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one.

What is the SMILES notation for 4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one?

The canonical SMILES for 4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one is CCc1c(C(F)F)nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c1=O.

What is the InChIKey of 4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one?

The InChIKey is SBOOQHJSQDIKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-2-12-15(17(22)23)25-18(26-20(12)29)16-13-7-5-9-24-19(13)28(27-16)10-11-6-3-4-8-14(11)21/h3-9,17H,2,10H2,1H3,(H,25,26,29).

What are the key properties of 4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one?

4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 399.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137082204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).