3-cyclopropyl-1-[(1R)-1-[6-(1,1-difluoroethyl)-3-pyridinyl]propyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H21F2N5O — CID 146728067

About 3-cyclopropyl-1-[(1R)-1-[6-(1,1-difluoroethyl)-3-pyridinyl]propyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

3-cyclopropyl-1-[(1R)-1-[6-(1,1-difluoroethyl)-3-pyridinyl]propyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 146728067) has the molecular formula C19H21F2N5O and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(1R)-1-[6-(1,1-difluoroethyl)-3-pyridinyl]propyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-cyclopropyl-1-[(1R)-1-[6-(1,1-difluoroethyl)-3-pyridinyl]propyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 146728067
• Molecular Formula: C19H21F2N5O
• Molecular Weight: 373.41 g/mol
• Exact Mass: 373.17
• IUPAC Name: 3-cyclopropyl-1-[(1R)-1-[6-(1,1-difluoroethyl)-3-pyridinyl]propyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC[C@H](c1ccc(C(C)(F)F)nc1)n1nc(C2CC2)c2c(=O)[nH]c(C)nc21
• InChI: InChI=1S/C19H21F2N5O/c1-4-13(12-7-8-14(22-9-12)19(3,20)21)26-17-15(16(25-26)11-5-6-11)18(27)24-10(2)23-17/h7-9,11,13H,4-6H2,1-3H3,(H,23,24,27)/t13-/m1/s1
• InChIKey: RGWPTJVYOPGHQB-CYBMUJFWSA-N
• XLogP: 3.81
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.41
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-cyclopropyl-1-[(1R)-1-[6-(1,1-difluoroethyl)-3-pyridinyl]propyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 146728067) is 3-cyclopropyl-1-[(1R)-1-[6-(1,1-difluoroethyl)-3-pyridinyl]propyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

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

The canonical SMILES for 3-cyclopropyl-1-[(1R)-1-[6-(1,1-difluoroethyl)-3-pyridinyl]propyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC[C@H](c1ccc(C(C)(F)F)nc1)n1nc(C2CC2)c2c(=O)[nH]c(C)nc21.

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

The InChIKey is RGWPTJVYOPGHQB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21F2N5O/c1-4-13(12-7-8-14(22-9-12)19(3,20)21)26-17-15(16(25-26)11-5-6-11)18(27)24-10(2)23-17/h7-9,11,13H,4-6H2,1-3H3,(H,23,24,27)/t13-/m1/s1.

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

3-cyclopropyl-1-[(1R)-1-[6-(1,1-difluoroethyl)-3-pyridinyl]propyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 373.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-1-[(1R)-1-[6-(1,1-difluoroethyl)-3-pyridinyl]propyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 146728067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).