1-cyclopentyl-6-[[(2R)-1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H25F3N6O2 — CID 166626041

IUPAC1-cyclopentyl-6-[[(2R)-1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H25F3N6O2/c1-11(17(30)27-8-4-5-12(10-27)19(20,21)22)24-18-25-15-14(16(29)26-18)9-23-28(15)13-6-2-3-7-13/h9,11-13H,2-8,10H2,1H3,(H2,24,25,26,29)/t11-,12?/m1/s1
InChIKeyARVMMQQWUXFKLK-JHJMLUEUSA-N
MW426.44 g/mol
LogP2.84
Rot. Bonds4

About 1-cyclopentyl-6-[[(2R)-1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-[[(2R)-1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 166626041) has the molecular formula C19H25F3N6O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is 1-cyclopentyl-6-[[(2R)-1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[[(2R)-1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID166626041
Molecular FormulaC19H25F3N6O2
Molecular Weight426.44 g/mol
Exact Mass426.20
IUPAC Name1-cyclopentyl-6-[[(2R)-1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H25F3N6O2/c1-11(17(30)27-8-4-5-12(10-27)19(20,21)22)24-18-25-15-14(16(29)26-18)9-23-28(15)13-6-2-3-7-13/h9,11-13H,2-8,10H2,1H3,(H2,24,25,26,29)/t11-,12?/m1/s1
InChIKeyARVMMQQWUXFKLK-JHJMLUEUSA-N
XLogP2.84
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclopentyl-6-[[(2R)-1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-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-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[[(2R)-1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 166626041) is 1-cyclopentyl-6-[[(2R)-1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[[(2R)-1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[[(2R)-1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-cyclopentyl-6-[[(2R)-1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ARVMMQQWUXFKLK-JHJMLUEUSA-N. The full InChI is InChI=1S/C19H25F3N6O2/c1-11(17(30)27-8-4-5-12(10-27)19(20,21)22)24-18-25-15-14(16(29)26-18)9-23-28(15)13-6-2-3-7-13/h9,11-13H,2-8,10H2,1H3,(H2,24,25,26,29)/t11-,12?/m1/s1.
What are the key properties of 1-cyclopentyl-6-[[(2R)-1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[[(2R)-1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 426.44 g/mol, XLogP of 2.84, 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-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166626041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).