1-cyclopentyl-6-[[(2R)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C₁₈H₂₆N₆O₂ — CID 155525884

About 1-cyclopentyl-6-[[(2R)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-[[(2R)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 155525884) has the molecular formula C₁₈H₂₆N₆O₂ and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-cyclopentyl-6-[[(2R)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-cyclopentyl-6-[[(2R)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 155525884
• Molecular Formula: C₁₈H₂₆N₆O₂
• Molecular Weight: 358.45 g/mol
• Exact Mass: 358.21
• IUPAC Name: 1-cyclopentyl-6-[[(2R)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC1CCCN1C(=O)[C@@H](C)Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1
• InChI: InChI=1S/C18H26N6O2/c1-11-6-5-9-23(11)17(26)12(2)20-18-21-15-14(16(25)22-18)10-19-24(15)13-7-3-4-8-13/h10-13H,3-9H2,1-2H3,(H2,20,21,22,25)/t11?,12-/m1/s1
• InChIKey: YEXTUBISPSAGMY-PIJUOVFKSA-N
• XLogP: 2.05
• TPSA: 95.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.45
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-cyclopentyl-6-[[(2R)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 155525884) is 1-cyclopentyl-6-[[(2R)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

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

The canonical SMILES for 1-cyclopentyl-6-[[(2R)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC1CCCN1C(=O)[C@@H](C)Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1.

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

The InChIKey is YEXTUBISPSAGMY-PIJUOVFKSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-11-6-5-9-23(11)17(26)12(2)20-18-21-15-14(16(25)22-18)10-19-24(15)13-7-3-4-8-13/h10-13H,3-9H2,1-2H3,(H2,20,21,22,25)/t11?,12-/m1/s1.

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

1-cyclopentyl-6-[[(2R)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 358.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-6-[[(2R)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 155525884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155525884 — identifiers, structure, computed properties (public domain)

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