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

C18H25FN6O2 — CID 166629127

IUPAC1-cyclopentyl-6-[[(2R)-1-(4-fluoropiperidin-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)CC1
InChIInChI=1S/C18H25FN6O2/c1-11(17(27)24-8-6-12(19)7-9-24)21-18-22-15-14(16(26)23-18)10-20-25(15)13-4-2-3-5-13/h10-13H,2-9H2,1H3,(H2,21,22,23,26)/t11-/m1/s1
InChIKeyZNCLNNXXAFHVNR-LLVKDONJSA-N
MW376.44 g/mol
LogP2.00
Rot. Bonds4

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

1-cyclopentyl-6-[[(2R)-1-(4-fluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 166629127) has the molecular formula C18H25FN6O2 and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-cyclopentyl-6-[[(2R)-1-(4-fluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[[(2R)-1-(4-fluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID166629127
Molecular FormulaC18H25FN6O2
Molecular Weight376.44 g/mol
Exact Mass376.20
IUPAC Name1-cyclopentyl-6-[[(2R)-1-(4-fluoropiperidin-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)CC1
InChIInChI=1S/C18H25FN6O2/c1-11(17(27)24-8-6-12(19)7-9-24)21-18-22-15-14(16(26)23-18)10-20-25(15)13-4-2-3-5-13/h10-13H,2-9H2,1H3,(H2,21,22,23,26)/t11-/m1/s1
InChIKeyZNCLNNXXAFHVNR-LLVKDONJSA-N
XLogP2.00
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[[(2R)-1-(4-fluoropiperidin-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-fluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 166629127) is 1-cyclopentyl-6-[[(2R)-1-(4-fluoropiperidin-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-fluoropiperidin-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-fluoropiperidin-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)CC1.
What is the InChIKey of 1-cyclopentyl-6-[[(2R)-1-(4-fluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZNCLNNXXAFHVNR-LLVKDONJSA-N. The full InChI is InChI=1S/C18H25FN6O2/c1-11(17(27)24-8-6-12(19)7-9-24)21-18-22-15-14(16(26)23-18)10-20-25(15)13-4-2-3-5-13/h10-13H,2-9H2,1H3,(H2,21,22,23,26)/t11-/m1/s1.
What are the key properties of 1-cyclopentyl-6-[[(2R)-1-(4-fluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[[(2R)-1-(4-fluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 376.44 g/mol, XLogP of 2.00, 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-fluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166629127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).