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

C18H26N6O3 — CID 166630559

IUPAC1-cyclopentyl-6-[[(2R)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCCOCC1
InChIInChI=1S/C18H26N6O3/c1-12(17(26)23-7-4-9-27-10-8-23)20-18-21-15-14(16(25)22-18)11-19-24(15)13-5-2-3-6-13/h11-13H,2-10H2,1H3,(H2,20,21,22,25)/t12-/m1/s1
InChIKeyCHAKZCZANDPTRW-GFCCVEGCSA-N
MW374.45 g/mol
LogP1.28
Rot. Bonds4

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

1-cyclopentyl-6-[[(2R)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 166630559) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-cyclopentyl-6-[[(2R)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[[(2R)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID166630559
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name1-cyclopentyl-6-[[(2R)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCCOCC1
InChIInChI=1S/C18H26N6O3/c1-12(17(26)23-7-4-9-27-10-8-23)20-18-21-15-14(16(25)22-18)11-19-24(15)13-5-2-3-6-13/h11-13H,2-10H2,1H3,(H2,20,21,22,25)/t12-/m1/s1
InChIKeyCHAKZCZANDPTRW-GFCCVEGCSA-N
XLogP1.28
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
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-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[[(2R)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 166630559) is 1-cyclopentyl-6-[[(2R)-1-(1,4-oxazepan-4-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-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[[(2R)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCCOCC1.
What is the InChIKey of 1-cyclopentyl-6-[[(2R)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CHAKZCZANDPTRW-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-12(17(26)23-7-4-9-27-10-8-23)20-18-21-15-14(16(25)22-18)11-19-24(15)13-5-2-3-6-13/h11-13H,2-10H2,1H3,(H2,20,21,22,25)/t12-/m1/s1.
What are the key properties of 1-cyclopentyl-6-[[(2R)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[[(2R)-1-(1,4-oxazepan-4-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, 4 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-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166630559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).