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

C19H28N6O3 — CID 166635128

IUPAC1-cyclopentyl-6-[[(2R)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOC1CCN(C(=O)[C@@H](C)Nc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C19H28N6O3/c1-12(18(27)24-9-7-14(28-2)8-10-24)21-19-22-16-15(17(26)23-19)11-20-25(16)13-5-3-4-6-13/h11-14H,3-10H2,1-2H3,(H2,21,22,23,26)/t12-/m1/s1
InChIKeyKIPLKEXANPIPQB-GFCCVEGCSA-N
MW388.47 g/mol
LogP1.67
Rot. Bonds5

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

1-cyclopentyl-6-[[(2R)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 166635128) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-cyclopentyl-6-[[(2R)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[[(2R)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID166635128
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name1-cyclopentyl-6-[[(2R)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOC1CCN(C(=O)[C@@H](C)Nc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C19H28N6O3/c1-12(18(27)24-9-7-14(28-2)8-10-24)21-19-22-16-15(17(26)23-19)11-20-25(16)13-5-3-4-6-13/h11-14H,3-10H2,1-2H3,(H2,21,22,23,26)/t12-/m1/s1
InChIKeyKIPLKEXANPIPQB-GFCCVEGCSA-N
XLogP1.67
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[[(2R)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[[(2R)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 166635128) is 1-cyclopentyl-6-[[(2R)-1-(4-methoxypiperidin-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-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[[(2R)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is COC1CCN(C(=O)[C@@H](C)Nc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)CC1.
What is the InChIKey of 1-cyclopentyl-6-[[(2R)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KIPLKEXANPIPQB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-12(18(27)24-9-7-14(28-2)8-10-24)21-19-22-16-15(17(26)23-19)11-20-25(16)13-5-3-4-6-13/h11-14H,3-10H2,1-2H3,(H2,21,22,23,26)/t12-/m1/s1.
What are the key properties of 1-cyclopentyl-6-[[(2R)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[[(2R)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 388.47 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[[(2R)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166635128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).