7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H18F3N5O — CID 123756240

About 7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 123756240) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is 7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 123756240
• Molecular Formula: C20H18F3N5O
• Molecular Weight: 401.39 g/mol
• Exact Mass: 401.15
• IUPAC Name: 7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: Cc1cc(-c2cnn3c2C(=O)N(c2cc(C)c(C(F)(F)F)cn2)CC3C)ccn1
• InChI: InChI=1S/C20H18F3N5O/c1-11-6-17(25-9-16(11)20(21,22)23)27-10-13(3)28-18(19(27)29)15(8-26-28)14-4-5-24-12(2)7-14/h4-9,13H,10H2,1-3H3
• InChIKey: HSYHACWPMLVKHS-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.39
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 123756240) is 7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cc(-c2cnn3c2C(=O)N(c2cc(C)c(C(F)(F)F)cn2)CC3C)ccn1.

What is the InChIKey of 7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is HSYHACWPMLVKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c1-11-6-17(25-9-16(11)20(21,22)23)27-10-13(3)28-18(19(27)29)15(8-26-28)14-4-5-24-12(2)7-14/h4-9,13H,10H2,1-3H3.

What are the key properties of 7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 401.39 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 123756240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).