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

C19H20F3N5O — CID 137304576

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

3-cyclopentyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137304576) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 3-cyclopentyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-cyclopentyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 137304576
• Molecular Formula: C19H20F3N5O
• Molecular Weight: 391.40 g/mol
• Exact Mass: 391.16
• IUPAC Name: 3-cyclopentyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: Cc1nc2c(c(C3CCCC3)nn2C(C)c2ccc(C(F)(F)F)cn2)c(=O)[nH]1
• InChI: InChI=1S/C19H20F3N5O/c1-10(14-8-7-13(9-23-14)19(20,21)22)27-17-15(18(28)25-11(2)24-17)16(26-27)12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H,24,25,28)
• InChIKey: JOJPEIGLDGLADI-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.40
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-cyclopentyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137304576) is 3-cyclopentyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

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

The canonical SMILES for 3-cyclopentyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(c(C3CCCC3)nn2C(C)c2ccc(C(F)(F)F)cn2)c(=O)[nH]1.

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

The InChIKey is JOJPEIGLDGLADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-10(14-8-7-13(9-23-14)19(20,21)22)27-17-15(18(28)25-11(2)24-17)16(26-27)12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H,24,25,28).

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

3-cyclopentyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 391.40 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137304576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).