1-cyclopentyl-6-[(1R)-1-[(3R)-3-pyrimidin-2-yloxypyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H25N7O2 — CID 135873836

About 1-cyclopentyl-6-[(1R)-1-[(3R)-3-pyrimidin-2-yloxypyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-[(1R)-1-[(3R)-3-pyrimidin-2-yloxypyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873836) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(1R)-1-[(3R)-3-pyrimidin-2-yloxypyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-cyclopentyl-6-[(1R)-1-[(3R)-3-pyrimidin-2-yloxypyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 135873836
• Molecular Formula: C20H25N7O2
• Molecular Weight: 395.47 g/mol
• Exact Mass: 395.21
• IUPAC Name: 1-cyclopentyl-6-[(1R)-1-[(3R)-3-pyrimidin-2-yloxypyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC[C@@H](Oc2ncccn2)C1
• InChI: InChI=1S/C20H25N7O2/c1-13(26-10-7-15(12-26)29-20-21-8-4-9-22-20)17-24-18-16(19(28)25-17)11-23-27(18)14-5-2-3-6-14/h4,8-9,11,13-15H,2-3,5-7,10,12H2,1H3,(H,24,25,28)/t13-,15-/m1/s1
• InChIKey: AVHKQLOHKFYOJJ-UKRRQHHQSA-N
• XLogP: 2.24
• TPSA: 101.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.47
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-cyclopentyl-6-[(1R)-1-[(3R)-3-pyrimidin-2-yloxypyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873836) is 1-cyclopentyl-6-[(1R)-1-[(3R)-3-pyrimidin-2-yloxypyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

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

The canonical SMILES for 1-cyclopentyl-6-[(1R)-1-[(3R)-3-pyrimidin-2-yloxypyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC[C@@H](Oc2ncccn2)C1.

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

The InChIKey is AVHKQLOHKFYOJJ-UKRRQHHQSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-13(26-10-7-15(12-26)29-20-21-8-4-9-22-20)17-24-18-16(19(28)25-17)11-23-27(18)14-5-2-3-6-14/h4,8-9,11,13-15H,2-3,5-7,10,12H2,1H3,(H,24,25,28)/t13-,15-/m1/s1.

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

1-cyclopentyl-6-[(1R)-1-[(3R)-3-pyrimidin-2-yloxypyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 395.47 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-6-[(1R)-1-[(3R)-3-pyrimidin-2-yloxypyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).