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

C16H15F2N5O — CID 146595200

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

3-cyclopropyl-1-[1-(4,5-difluoro-2-pyridinyl)ethyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 146595200) has the molecular formula C16H15F2N5O and a molecular weight of 331.33 g/mol. Its IUPAC name is 3-cyclopropyl-1-[1-(4,5-difluoro-2-pyridinyl)ethyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-cyclopropyl-1-[1-(4,5-difluoro-2-pyridinyl)ethyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 146595200
• Molecular Formula: C16H15F2N5O
• Molecular Weight: 331.33 g/mol
• Exact Mass: 331.12
• IUPAC Name: 3-cyclopropyl-1-[1-(4,5-difluoro-2-pyridinyl)ethyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: Cc1nc2c(c(C3CC3)nn2C(C)c2cc(F)c(F)cn2)c(=O)[nH]1
• InChI: InChI=1S/C16H15F2N5O/c1-7(12-5-10(17)11(18)6-19-12)23-15-13(14(22-23)9-3-4-9)16(24)21-8(2)20-15/h5-7,9H,3-4H2,1-2H3,(H,20,21,24)
• InChIKey: XWYWETDCITWTLY-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.33
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-cyclopropyl-1-[1-(4,5-difluoro-2-pyridinyl)ethyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 146595200) is 3-cyclopropyl-1-[1-(4,5-difluoro-2-pyridinyl)ethyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

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

The canonical SMILES for 3-cyclopropyl-1-[1-(4,5-difluoro-2-pyridinyl)ethyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(c(C3CC3)nn2C(C)c2cc(F)c(F)cn2)c(=O)[nH]1.

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

The InChIKey is XWYWETDCITWTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O/c1-7(12-5-10(17)11(18)6-19-12)23-15-13(14(22-23)9-3-4-9)16(24)21-8(2)20-15/h5-7,9H,3-4H2,1-2H3,(H,20,21,24).

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

3-cyclopropyl-1-[1-(4,5-difluoro-2-pyridinyl)ethyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 331.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-1-[1-(4,5-difluoro-2-pyridinyl)ethyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 146595200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).