6-[(1R)-1-[3-(3-chlorophenoxy)azetidin-1-yl]ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C21H24ClN5O2 — CID 135873815

About 6-[(1R)-1-[3-(3-chlorophenoxy)azetidin-1-yl]ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(1R)-1-[3-(3-chlorophenoxy)azetidin-1-yl]ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873815) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is 6-[(1R)-1-[3-(3-chlorophenoxy)azetidin-1-yl]ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(1R)-1-[3-(3-chlorophenoxy)azetidin-1-yl]ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 135873815
• Molecular Formula: C21H24ClN5O2
• Molecular Weight: 413.91 g/mol
• Exact Mass: 413.16
• IUPAC Name: 6-[(1R)-1-[3-(3-chlorophenoxy)azetidin-1-yl]ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Oc2cccc(Cl)c2)C1
• InChI: InChI=1S/C21H24ClN5O2/c1-13(26-11-17(12-26)29-16-8-4-5-14(22)9-16)19-24-20-18(21(28)25-19)10-23-27(20)15-6-2-3-7-15/h4-5,8-10,13,15,17H,2-3,6-7,11-12H2,1H3,(H,24,25,28)/t13-/m1/s1
• InChIKey: RWXMPGCFTCWUAG-CYBMUJFWSA-N
• XLogP: 3.71
• TPSA: 76.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.91
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[3-(3-chlorophenoxy)azetidin-1-yl]ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 6-[(1R)-1-[3-(3-chlorophenoxy)azetidin-1-yl]ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873815) is 6-[(1R)-1-[3-(3-chlorophenoxy)azetidin-1-yl]ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(1R)-1-[3-(3-chlorophenoxy)azetidin-1-yl]ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 6-[(1R)-1-[3-(3-chlorophenoxy)azetidin-1-yl]ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Oc2cccc(Cl)c2)C1.

What is the InChIKey of 6-[(1R)-1-[3-(3-chlorophenoxy)azetidin-1-yl]ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is RWXMPGCFTCWUAG-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H24ClN5O2/c1-13(26-11-17(12-26)29-16-8-4-5-14(22)9-16)19-24-20-18(21(28)25-19)10-23-27(20)15-6-2-3-7-15/h4-5,8-10,13,15,17H,2-3,6-7,11-12H2,1H3,(H,24,25,28)/t13-/m1/s1.

What are the key properties of 6-[(1R)-1-[3-(3-chlorophenoxy)azetidin-1-yl]ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?

6-[(1R)-1-[3-(3-chlorophenoxy)azetidin-1-yl]ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 413.91 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1R)-1-[3-(3-chlorophenoxy)azetidin-1-yl]ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).