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

C18H26N6O3 — CID 155511060

IUPAC1-cyclopentyl-6-[[(2R)-1-(3-methoxypyrrolidin-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)C1
InChIInChI=1S/C18H26N6O3/c1-11(17(26)23-8-7-13(10-23)27-2)20-18-21-15-14(16(25)22-18)9-19-24(15)12-5-3-4-6-12/h9,11-13H,3-8,10H2,1-2H3,(H2,20,21,22,25)/t11-,13?/m1/s1
InChIKeyXAMKXJAURVXDSO-JTDNENJMSA-N
MW374.45 g/mol
LogP1.28
Rot. Bonds5

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

1-cyclopentyl-6-[[(2R)-1-(3-methoxypyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 155511060) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-cyclopentyl-6-[[(2R)-1-(3-methoxypyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[[(2R)-1-(3-methoxypyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID155511060
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name1-cyclopentyl-6-[[(2R)-1-(3-methoxypyrrolidin-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)C1
InChIInChI=1S/C18H26N6O3/c1-11(17(26)23-8-7-13(10-23)27-2)20-18-21-15-14(16(25)22-18)9-19-24(15)12-5-3-4-6-12/h9,11-13H,3-8,10H2,1-2H3,(H2,20,21,22,25)/t11-,13?/m1/s1
InChIKeyXAMKXJAURVXDSO-JTDNENJMSA-N
XLogP1.28
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.28
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-(3-methoxypyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[[(2R)-1-(3-methoxypyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 155511060) is 1-cyclopentyl-6-[[(2R)-1-(3-methoxypyrrolidin-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-(3-methoxypyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[[(2R)-1-(3-methoxypyrrolidin-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)C1.
What is the InChIKey of 1-cyclopentyl-6-[[(2R)-1-(3-methoxypyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XAMKXJAURVXDSO-JTDNENJMSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-11(17(26)23-8-7-13(10-23)27-2)20-18-21-15-14(16(25)22-18)9-19-24(15)12-5-3-4-6-12/h9,11-13H,3-8,10H2,1-2H3,(H2,20,21,22,25)/t11-,13?/m1/s1.
What are the key properties of 1-cyclopentyl-6-[[(2R)-1-(3-methoxypyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[[(2R)-1-(3-methoxypyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 374.45 g/mol, XLogP of 1.28, 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-(3-methoxypyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 155511060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).