3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H16F3N5O — CID 137289651

About 3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137289651) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is 3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 137289651
• Molecular Formula: C17H16F3N5O
• Molecular Weight: 363.34 g/mol
• Exact Mass: 363.13
• IUPAC Name: 3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: Cc1nc2c(c(C3CC3)nn2C(C)c2ccc(C(F)(F)F)cn2)c(=O)[nH]1
• InChI: InChI=1S/C17H16F3N5O/c1-8(12-6-5-11(7-21-12)17(18,19)20)25-15-13(14(24-25)10-3-4-10)16(26)23-9(2)22-15/h5-8,10H,3-4H2,1-2H3,(H,22,23,26)
• InChIKey: NGBKMWJXMSAODJ-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.34
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137289651) is 3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(c(C3CC3)nn2C(C)c2ccc(C(F)(F)F)cn2)c(=O)[nH]1.

What is the InChIKey of 3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is NGBKMWJXMSAODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c1-8(12-6-5-11(7-21-12)17(18,19)20)25-15-13(14(24-25)10-3-4-10)16(26)23-9(2)22-15/h5-8,10H,3-4H2,1-2H3,(H,22,23,26).

What are the key properties of 3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 363.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137289651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).