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

C18H24F2N6O2 — CID 166630874

IUPAC1-cyclopentyl-6-[[(2R)-1-(4,4-difluoropiperidin-1-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)N1CCC(F)(F)CC1
InChIInChI=1S/C18H24F2N6O2/c1-11(16(28)25-8-6-18(19,20)7-9-25)22-17-23-14-13(15(27)24-17)10-21-26(14)12-4-2-3-5-12/h10-12H,2-9H2,1H3,(H2,22,23,24,27)/t11-/m1/s1
InChIKeyLLNLJMIXAZSZRV-LLVKDONJSA-N
MW394.43 g/mol
LogP2.29
Rot. Bonds4

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

1-cyclopentyl-6-[[(2R)-1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 166630874) has the molecular formula C18H24F2N6O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-cyclopentyl-6-[[(2R)-1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[[(2R)-1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID166630874
Molecular FormulaC18H24F2N6O2
Molecular Weight394.43 g/mol
Exact Mass394.19
IUPAC Name1-cyclopentyl-6-[[(2R)-1-(4,4-difluoropiperidin-1-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)N1CCC(F)(F)CC1
InChIInChI=1S/C18H24F2N6O2/c1-11(16(28)25-8-6-18(19,20)7-9-25)22-17-23-14-13(15(27)24-17)10-21-26(14)12-4-2-3-5-12/h10-12H,2-9H2,1H3,(H2,22,23,24,27)/t11-/m1/s1
InChIKeyLLNLJMIXAZSZRV-LLVKDONJSA-N
XLogP2.29
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[[(2R)-1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[[(2R)-1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 166630874) is 1-cyclopentyl-6-[[(2R)-1-(4,4-difluoropiperidin-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-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[[(2R)-1-(4,4-difluoropiperidin-1-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)N1CCC(F)(F)CC1.
What is the InChIKey of 1-cyclopentyl-6-[[(2R)-1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LLNLJMIXAZSZRV-LLVKDONJSA-N. The full InChI is InChI=1S/C18H24F2N6O2/c1-11(16(28)25-8-6-18(19,20)7-9-25)22-17-23-14-13(15(27)24-17)10-21-26(14)12-4-2-3-5-12/h10-12H,2-9H2,1H3,(H2,22,23,24,27)/t11-/m1/s1.
What are the key properties of 1-cyclopentyl-6-[[(2R)-1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[[(2R)-1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 394.43 g/mol, XLogP of 2.29, 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-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166630874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).